SCHEMBL764037

SCHEMBL764037

CCc1ccc2c(c1)OCCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
PARP1 P09874 1/20 0.43
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PIK3CA P42336 1/20 0.37
GRM2 Q14416 1/20 0.36
AURKA O14965 1/20 0.36
QPCT Q16769 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
FABP6 P51161 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL27444970 0.90 PARP1 (0.41) ALDH1A1GAAHSD17B10MAPTPARP1
SCHEMBL18087622 0.87 GAA (0.44) ALDH1A1GAAHSD17B10MAPTPARP1
SCHEMBL19772859 0.87 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL8433820 0.86 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPARP1
SCHEMBL22912275 0.83 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL14367263 0.82 PARP1 (0.45) ALDH1A1GAAPARP1KDM4EHPGD
SCHEMBL25107140 0.82 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL18522454 0.82 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL18594591 0.82 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL21102115 0.80 ALDH1A1 (0.43) ALDH1A1GAAHSD17B10MAPTGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
US-20200308172-A1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-01 US disclosed
US-10730877-B2 4-Azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20200095247-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-03-26 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2012-07-12 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8163704-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2012-04-24 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US disclosed
US-20080070910-A1 Therapeutic compounds and methods GILEAD SCIENCES, INC. 2008-03-20 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 (14 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 ALDH1A1 4344/4885GAA 2777/4885HSD17B10 3229/4885
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALDH1A1 482/4885GAA 145/4885HSD17B10 205/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB ALDH1A1 550/4885GAA 910/4885HSD17B10 110/4885
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MTOR, CDK1, MAP3K8 ALDH1A1 2293/4885GAA 1462/4885HSD17B10 1408/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885GAA 2777/4885HSD17B10 3229/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ALDH1A1 2100/4885GAA 3287/4885HSD17B10 4655/4885
US-10730877-B2 4-Azaindole compounds TLR7, TLR9, TLR5 ALDH1A1 1039/4885GAA 2277/4885HSD17B10 4116/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ALDH1A1 2100/4885GAA 3287/4885HSD17B10 4655/4885
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 ALDH1A1 1840/4885GAA 170/4885HSD17B10 3082/4885
US-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 ALDH1A1 482/4885GAA 145/4885HSD17B10 205/4885
US-20200095247-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 ALDH1A1 1039/4885GAA 2277/4885HSD17B10 4116/4885
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D ALDH1A1 2592/4885GAA 1682/4885HSD17B10 3166/4885
US-20200308172-A1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS TLR1, TLR7, TLR9 ALDH1A1 1511/4885GAA 2507/4885HSD17B10 3848/4885
US-20080070910-A1 Therapeutic compounds and methods SERPINB1, ABCC1, SERPINB6 ALDH1A1 1840/4885GAA 170/4885HSD17B10 3082/4885

“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.