SCHEMBL222214

SCHEMBL222214

O=C(CBr)c1cccnc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
GSK3B P49841 3/20 0.41
NAPRT Q6XQN6 2/20 0.40
LMNA P02545 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27593575 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL28116938 0.79 NAPRT (0.61) PTPN1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL21048718 0.79 PTPN1 (0.44) PTPN1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL218606 0.79 LMNA (0.61) PTPN1ALDH1A1SMN1; SMN2HPGDTDP1
SCHEMBL2231066 0.79 P2RX7 (0.59) PTPN1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL3432130 0.79 NAPRT (0.61) PTPN1ALDH1A1SMN1; SMN2HPGDHSD17B10
Bromide SCHEMBL4126411 0.78 NAPRT (0.59) PTPN1ALDH1A1SMN1; SMN2HPGDHSD17B10
Bromide SCHEMBL15753399 0.78 P2RX7 (0.57) PTPN1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL29442955 0.78 KDM4E (0.63) ALDH1A1SMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL932828 0.78 KDM4E (0.63) ALDH1A1SMN1; SMN2KDM4ETDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2022-11-15 US disclosed
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2022-11-15 US disclosed
EP-3581576-B1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS FOR USE IN THE TREATMENT OF A PROLIFERATIVE DISEASE IN COMBINATION WITH A JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2022-01-26 EP disclosed
EP-3581576-B1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS FOR USE IN THE TREATMENT OF A PROLIFERATIVE DISEASE IN COMBINATION WITH A JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2022-01-26 EP disclosed
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORTION 2021-06-24 US disclosed
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORTION 2021-06-24 US disclosed
US-10919912-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE HOLDINGS CORPORATION (US) 2021-02-16 US disclosed
US-10919912-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE HOLDINGS CORPORATION (US) 2021-02-16 US disclosed
US-20200131195-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2020-04-30 US disclosed
US-20200131195-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2020-04-30 US disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20060205739-A1 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG 2006-09-14 US disclosed
EP-1697336-A2 AROYLFURANES AND AROYLTHIOPHENES SUITABLE FOR THE TREATMENT OF CANCER Basilea Pharmaceutica AG (CH) 2006-09-06 EP disclosed
WO-2005061476-A2 AROYLFURANES AND AROYLTHIOPHENES BASILEA PHARMACEUTICA AG (CH) 2005-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200131195-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 PTPN1 4372/4885ALDH1A1 4459/4885SMN1; SMN2 4578/4885
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 PTPN1 4372/4885ALDH1A1 4459/4885SMN1; SMN2 4578/4885
US-20060205739-A1 Aroylfuranes and aroylthiophenes TPMT, APRT, ABAT PTPN1 928/4885ALDH1A1 308/4885SMN1; SMN2 3852/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 PTPN1 4066/4885ALDH1A1 844/4885SMN1; SMN2 2663/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 PTPN1 4595/4885ALDH1A1 1903/4885SMN1; SMN2 1245/4885
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 PTPN1 4372/4885ALDH1A1 4459/4885SMN1; SMN2 4578/4885
US-10919912-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 PTPN1 4372/4885ALDH1A1 4459/4885SMN1; SMN2 4578/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 PTPN1 3991/4885ALDH1A1 1331/4885SMN1; SMN2 2106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.