SCHEMBL62501

SCHEMBL62501

Cn1ccc(-c2c[c]ccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
KEAP1 Q14145 1/20 0.48
SCN4A P35499 1/20 0.41
CYP19A1 P11511 1/20 0.40
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
JMJD6 Q6NYC1 3/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAPT P10636 2/20 0.33
CHEK1 O14757 1/20 0.33
PIM1 P11309 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL3145167 0.78 KMT2A (0.63) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL1155310 0.77 KMT2A (1.00) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL20794173 0.77 KMT2A (0.52) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL29277768 0.77 BRD4 (0.36) KMT2ACYP19A1KDM4ENPC1RAB9A
SCHEMBL3608312 0.77 KMT2A (0.35) KMT2A
SCHEMBL5610082 0.73 CYP2E1 (0.54) KMT2AMAPTCHEK1NPC1RAB9A
SCHEMBL21053897 0.72 COMT (0.45) KMT2AKDM4EALDH1A1TGFBR1
SCHEMBL18157906 0.71 KMT2A (0.64) KMT2AKEAP1SCN4ACYP19A1PIK3CD
SCHEMBL610112 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL368047 0.70 DYRK1A (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234546-A GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases 嘉兴优博生物技术有限公司 2023-06-06 CN claimed
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 WO claimed
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP claimed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US claimed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US claimed
EP-2985281-A2 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2016-02-17 EP claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP claimed
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 EP claimed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
EP-1165085-B1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2006-06-14 EP claimed
CN-1660840-A Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-08-31 CN claimed
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO (CH) 2005-08-11 US claimed
US-6911440-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-06-28 US claimed
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO (CH) 2004-07-22 US claimed
US-6686347-B2 RHEUMATIC DISEASES; ANALGESICS; ENZYME INHIBITORS NOVARTIS AG (CH) 2004-02-03 US claimed
US-20030013718-A1 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2003-01-16 US claimed
CN-1367695-A Phthalazine derivatives for the treatment of inflammatory diseases NOVARTIS AG (CH) 2002-09-04 CN claimed
EP-1165085-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES Novartis AG (CH) 2002-01-02 EP claimed
WO-2000059509-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2000-10-12 WO claimed

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

For each of this compound's patents that has machine-readable text (4 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-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 KMT2A 4620/4885KEAP1 2831/4885SCN4A 1498/4885
US-20030013718-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, KDR, FFAR2 KMT2A 1572/4885KEAP1 1324/4885SCN4A 707/4885
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases KDR, FLT1, TIE1 KMT2A 3007/4885KEAP1 653/4885SCN4A 3055/4885
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, FLT4, KDR KMT2A 1343/4885KEAP1 2258/4885SCN4A 712/4885

“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.