SCHEMBL2633430

SCHEMBL2633430

CC(C)c1ncc[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CAPN1 P07384 1/20 0.37
TAAR1 Q96RJ0 3/20 0.36
TXN P10599 1/20 0.34
TXNRD1 Q16881 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
FDPS P14324 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
BRD4 O60885 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR1A P08908 1/20 0.30

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
SCHEMBL2921587 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TAAR1TXNTXNRD1
SCHEMBL18238088 0.74 PARP1 (0.43) ALDH1A1RAB9AHPGDLMNAHSD17B10
SCHEMBL7878663 0.73 NISCH (0.43) SMN1; SMN2CAPN1TAAR1ADRA2AADRA2B
SCHEMBL723777 0.70
SCHEMBL3986519 0.69 PDE3B (0.45) ALDH1A1SMN1; SMN2TAAR1TXNTXNRD1
SCHEMBL6647148 0.69 JAK2 (0.40) ALDH1A1SMN1; SMN2TXNTXNRD1FDPS
Hydrochloric Acid SCHEMBL7393663 0.68
SCHEMBL29059442 0.67 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TXNTXNRD1NISCH
SCHEMBL189942 0.67
SCHEMBL2732228 0.67 PIK3CG (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
WO-2023205468-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-11780835-B2 Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases ARRAY BIOPHARMA INC. (US) 2023-10-10 US disclosed
CN-116462635-A Pyrazine-1 (2H) -2-oxo compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-07-21 CN disclosed
US-11679109-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-20230011441-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC. (US) 2023-01-12 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200138812-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS LLC (US) 2020-05-07 US disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
WO-2011144622-A1 1H - IMIDAZO [4, 5 - C] QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 WO disclosed
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 WO disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US 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 (13 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-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALDH1A1 1133/4885SMN1; SMN2 3093/4885CAPN1 2125/4885
US-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 ALDH1A1 701/4885SMN1; SMN2 3953/4885CAPN1 3681/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 ALDH1A1 823/4885SMN1; SMN2 1977/4885CAPN1 1812/4885
US-20230011441-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES RET, MERTK, MET ALDH1A1 2121/4885SMN1; SMN2 3166/4885CAPN1 1874/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 ALDH1A1 2230/4885SMN1; SMN2 716/4885CAPN1 1211/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ALDH1A1 905/4885SMN1; SMN2 4234/4885CAPN1 3624/4885
US-20200138812-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 ALDH1A1 882/4885SMN1; SMN2 3358/4885CAPN1 3627/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 ALDH1A1 791/4885SMN1; SMN2 2200/4885CAPN1 2416/4885
US-11679109-B2 SMARCA degraders and uses thereof SMARCA1, SMARCA2, SMARCC2 ALDH1A1 2230/4885SMN1; SMN2 716/4885CAPN1 1211/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALDH1A1 1107/4885SMN1; SMN2 3269/4885CAPN1 2148/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR ALDH1A1 193/4885SMN1; SMN2 423/4885CAPN1 4106/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885SMN1; SMN2 3935/4885CAPN1 3910/4885
US-11780835-B2 Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases RET, MERTK, MET ALDH1A1 2121/4885SMN1; SMN2 3166/4885CAPN1 1874/4885

“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.