SCHEMBL758876

SCHEMBL758876

NCc1cn2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.58
RAB9A P51151 12/20 0.58
SMN1; SMN2 Q16637 11/20 0.58
TP53 P04637 2/20 0.58
MAPK1 P28482 1/20 0.58
SIRT5 Q9NXA8 1/20 0.58
KDM4E B2RXH2 5/20 0.55
MAPT P10636 3/20 0.54
PDE10A Q9Y233 2/20 0.54
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 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
Ammonia Solution, Strong SCHEMBL1764260 0.98 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPK1
Hydrochloric Acid SCHEMBL3940287 0.98 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53MAPK1
Hydrochloric Acid SCHEMBL5730550 0.98 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53MAPK1
Hydrochloric Acid SCHEMBL22366427 0.96 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL23530634 0.85 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL2732396 0.85 PDE10A (0.59) NPC1RAB9ASMN1; SMN2TP53MAPK1
Hydrochloric Acid SCHEMBL12478474 0.84 PDE10A (0.57) NPC1RAB9ASMN1; SMN2TP53MAPK1
Hydrochloric Acid SCHEMBL948504 0.84 PDE10A (0.57) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9570362 0.81 KDM4E (0.56) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9043267 0.81 RAB9A (0.55) NPC1RAB9ASMN1; SMN2TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 US disclosed
US-12234225-B2 IL-17 ligands and uses thereof DICE ALPHA, INC. (US) 2025-02-25 US disclosed
CN-113874080-B IL-17A modulators and uses thereof 戴斯阿尔法公司 2024-09-27 CN disclosed
CN-112739366-B Oral formulations of kappa opioid receptor agonists 卡拉治疗学股份有限公司 2024-08-30 CN disclosed
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
US-20230144197-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2023-05-11 US disclosed
US-20230144197-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2023-05-11 US disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
WO-2011097607-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREEN FOR ANTI-VIRAL AGENT SOUTHERN RESEARCH INSTITUTE (US) 2011-08-11 WO disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP disclosed
US-6863647-B2 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2005-03-08 US disclosed
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PEVARELLO PAOLO (IT) 2004-08-12 US disclosed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US disclosed
US-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-10-02 US disclosed
WO-2002066477-A2 IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2002-08-29 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 (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-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 NPC1 2685/4885RAB9A 2674/4885SMN1; SMN2 2448/4885
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OGFR NPC1 720/4885RAB9A 2521/4885SMN1; SMN2 2060/4885
US-20230144197-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE CDK1, CDK3, CDK2 NPC1 3814/4885RAB9A 2672/4885SMN1; SMN2 959/4885
US-12234225-B2 IL-17 ligands and uses thereof IL17A, IL2, IL15 NPC1 3473/4885RAB9A 3112/4885SMN1; SMN2 4705/4885
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD NPC1 408/4885RAB9A 2907/4885SMN1; SMN2 4286/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 NPC1 2685/4885RAB9A 2674/4885SMN1; SMN2 2448/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD NPC1 550/4885RAB9A 2747/4885SMN1; SMN2 3901/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 NPC1 2435/4885RAB9A 3635/4885SMN1; SMN2 2345/4885

“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.