SCHEMBL1011586

SCHEMBL1011586

Nc1cc(C2CC2)nn1-c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.88
SMN1; SMN2 Q16637 6/20 0.88
NPC1 O15118 6/20 0.88
LMNA P02545 1/20 0.88
TP53 P04637 1/20 0.88
PKM P14618 1/20 0.88
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
GFER P55789 1/20 0.53
MAPT P10636 2/20 0.50
STAT1 P42224 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PTGS1 P23219 1/20 0.49
ALOX15 P16050 1/20 0.48
NFKB1 P19838 2/20 0.48

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
SCHEMBL15727520 0.93 RAB9A (1.00) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL1013974 0.93 RAB9A (0.94) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL13860606 0.89 RAB9A (0.76) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL18038915 0.85 RAB9A (0.65) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL18717608 0.84 RAB9A (0.68) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL18717607 0.84 RAB9A (0.68) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL13974961 0.84 RAB9A (0.68) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL2557636 0.83 NPC1 (0.63) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL18692959 0.83 RAB9A (0.67) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL18717606 0.83 RAB9A (0.67) RAB9ASMN1; SMN2NPC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067411-A1 NEK7 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-04-03 WO disclosed
US-20240400551-A1 NEK7 INHIBITORS HALIA THERAPEUTICS INC (US) 2024-12-05 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-02-14 US disclosed
WO-2021067967-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2021-04-08 WO disclosed
US-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS CAL POLY CORPORATION 2021-04-08 US disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
CN-108218869-B Synthesis method of pyrazolo [3,4-b ] pyrrolo [3,4-d ] pyridine derivative 苏州大学 2020-06-05 CN disclosed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
EP-1831228-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 WO disclosed
WO-2006068591-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
EP-0839144-B1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL GMBH (DE) 2001-09-19 EP disclosed
US-6114334-A CENTRAL NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-0839144-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003067-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 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 (6 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-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors CHRM2, CHRNA1, CHRM1 RAB9A 1005/4885SMN1; SMN2 1451/4885NPC1 970/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 RAB9A 3477/4885SMN1; SMN2 3670/4885NPC1 348/4885
US-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS PNPO, NOX3, G6PD RAB9A 1213/4885SMN1; SMN2 4360/4885NPC1 2176/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 RAB9A 2475/4885SMN1; SMN2 2313/4885NPC1 3749/4885
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials PNPO, NOX3, G6PD RAB9A 1213/4885SMN1; SMN2 4360/4885NPC1 2176/4885
US-20240400551-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 RAB9A 2502/4885SMN1; SMN2 3294/4885NPC1 131/4885

“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.