SCHEMBL1722976

SCHEMBL1722976

Nc1ccc(-c2ccccn2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
PI4KA P42356 2/20 0.52
PI4KB Q9UBF8 2/20 0.52
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
KDM4E B2RXH2 6/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 2/20 0.52
GLA P06280 1/20 0.52
LMNA P02545 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50

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
SCHEMBL30500295 0.81 FEN1 (0.46) CYP2A6PI4KAPI4KBNOS3NOS1
SCHEMBL1068961 0.81 KDM4E (0.64) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL21494145 0.81 KDM4E (0.64) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL18745762 0.81 CYP2A6 (0.52) CYP2A6PI4KAPI4KBKDM4ENPC1
SCHEMBL14685049 0.80 CYP2A6 (0.55) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL8418626 0.79 KDM4E (0.54) CYP2A6PI4KAPI4KBNOS3NOS1
SCHEMBL1566968 0.78 KDM4E (0.72) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL30989132 0.78 KDM4E (0.72) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL30989133 0.78 KDM4E (0.72) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL22419985 0.78 CYP2A6 (0.62) CYP2A6KDM4ENPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991978-B1 BIHETEROARYL COMPOUNDS AND USES THEREOF F HOFFMANN LA ROCHE SA (CH) 2025-08-20 EP claimed
US-12559495-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2026-02-24 US disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
EP-4225006-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2023-08-09 EP disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 US disclosed
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
US-6548525-B2 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 US disclosed
US-6271237-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
WO-1999032454-A9 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARM CO (US) 2001-05-31 WO disclosed
US-4448780-A N-(Lower-alkyl)-N'-[5-(pyridinyl)-2-pyridinyl]ureas and cardiotonic use thereof STERLING DRUG INC. (US) 1984-05-15 US disclosed
US-4420617-A 5(Pyridinyl)pyridin-2-amines STERLING DRUG INC. (US) 1983-12-13 US disclosed
US-4420617-A 5(Pyridinyl)pyridin-2-amines STERLING DRUG INC. (US) 1983-12-13 US disclosed
US-4351941-A Pyridinyl-pyridines STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 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 (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-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors F12, F11, F2 CYP2A6 857/4885PI4KA 2640/4885PI4KB 2384/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 CYP2A6 527/4885PI4KA 1068/4885PI4KB 1097/4885
US-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 CYP2A6 2951/4885PI4KA 4216/4885PI4KB 4208/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 CYP2A6 2951/4885PI4KA 4216/4885PI4KB 4208/4885
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 CYP2A6 3061/4885PI4KA 717/4885PI4KB 1347/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 CYP2A6 527/4885PI4KA 1068/4885PI4KB 1097/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CYP2A6 3100/4885PI4KA 4167/4885PI4KB 4133/4885
US-12559495-B2 Purine diones as Wnt pathway modulators WNT1, CTNND1, WNT3A CYP2A6 896/4885PI4KA 684/4885PI4KB 1124/4885

“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.