SCHEMBL106726

SCHEMBL106726

Cc1c(N)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
PIK3CA P42336 1/20 0.46
JAK2 O60674 3/20 0.40
BTK Q06187 3/20 0.40
ALDH1A1 P00352 1/20 0.39
LPL P06858 8/20 0.38
LIPG Q9Y5X9 8/20 0.38
CD44 P16070 1/20 0.38
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL29503402 1.00 CYP3A4 (0.46) CYP3A4TSHRPIK3CAJAK2BTK
SCHEMBL24109664 0.90 CYP3A4 (0.41) CYP3A4TSHRPIK3CAJAK2BTK
SCHEMBL11927624 0.86 LPL (0.44) JAK2BTKLPLLIPGCA1
SCHEMBL21008770 0.86 CYP3A4 (0.37) CYP3A4TSHRPIK3CAJAK2BTK
SCHEMBL23685389 0.86 CYP3A4 (0.37) CYP3A4TSHRPIK3CAJAK2BTK
SCHEMBL190545 0.85 LPL (0.40) CYP3A4TSHRPIK3CAJAK2BTK
SCHEMBL29842912 0.85 LPL (0.40) CYP3A4TSHRPIK3CAJAK2BTK
SCHEMBL12616496 0.85 LPL (0.36) CYP3A4TSHRPIK3CAJAK2BTK
SCHEMBL168780 0.82 LPL (0.46) CYP3A4LPLLIPGCD44CA1
SCHEMBL31380588 0.82 LPL (0.46) CYP3A4LPLLIPGCD44CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082216-A 3-aryl indole KDM1A/HDACs double-target inhibitor, and preparation method and application thereof 阜外华中心血管病医院 2023-05-09 CN claimed
EP-4045036-B1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX INC (US) 2026-03-04 EP disclosed
EP-4694981-A1 HETEROCYCLIC COMPOUNDS AS DUAL INHIBITORS OF PD-L1 AND ADENOSINE RECEPTORS Aurigene Oncology Limited (IN) 2026-02-18 EP disclosed
EP-4045037-B1 HETEROARYL-BIPHENYL AMINES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX INC (US) 2026-01-28 EP disclosed
US-12534450-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2026-01-27 US disclosed
US-12497383-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2025-12-16 US disclosed
US-20250346598-A1 HETEROARYL-BIPHENYL AMINES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. (US) 2025-11-13 US disclosed
US-12466822-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2025-11-11 US disclosed
US-20250325660-A1 IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE INCYTE CORP (US) 2025-10-23 US disclosed
US-12371433-B2 Heteroaryl-biphenyl amines for the treatment of PD-L1 diseases AMGEN INC. (US) 2025-07-29 US disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
EP-1878727-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-16 EP disclosed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 EP disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US disclosed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 WO disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (9 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-12497383-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CD274, PDCD1LG2, PDCD1 CYP3A4 1485/4885TSHR 98/4885PIK3CA 1874/4885
US-12371433-B2 Heteroaryl-biphenyl amines for the treatment of PD-L1 diseases CD274, PDCD1LG2, PDCD1 CYP3A4 1337/4885TSHR 92/4885PIK3CA 2368/4885
US-20250325660-A1 IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE CD274, PDCD1LG2, PDCD1 CYP3A4 4685/4885TSHR 573/4885PIK3CA 3644/4885
US-20250346598-A1 HETEROARYL-BIPHENYL AMINES FOR THE TREATMENT OF PD-L1 DISEASES CD274, PDCD1LG2, PDCD1 CYP3A4 1337/4885TSHR 92/4885PIK3CA 2368/4885
US-12466822-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS CYP3A4 719/4885TSHR 2482/4885PIK3CA 2890/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA CYP3A4 1568/4885TSHR 3822/4885PIK3CA 1/4885
US-12534450-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 CYP3A4 2861/4885TSHR 133/4885PIK3CA 2805/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 CYP3A4 920/4885TSHR 2514/4885PIK3CA 116/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 CYP3A4 622/4885TSHR 2958/4885PIK3CA 147/4885

“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.