SCHEMBL902842

SCHEMBL902842

[CH]1CNc2ncccc2N1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
GSK3B P49841 1/20 0.36
OTUD7B Q6GQQ9 4/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL15230088 0.71
SCHEMBL6787340 0.71 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2GSK3BKDM4EGAA
SCHEMBL31746097 0.71 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2GSK3BKDM4EGAA
SCHEMBL516458 0.71 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2GSK3BOTUD7BKDM4E
SCHEMBL29888739 0.71
SCHEMBL458916 0.71
SCHEMBL5567 0.70 ALOX15 (0.33) KDM4EGAAMAPT
SCHEMBL29663838 0.68 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2GSK3BOTUD7BKDM4E
SCHEMBL7834725 0.68
SCHEMBL7476995 0.67 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2GSK3BOTUD7BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-19 US claimed
EP-3464292-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2019-04-10 EP claimed
WO-2017214002-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2017-12-14 WO claimed
EP-2909212-B1 SUBSTITUTED 1,4-DIHYDROPYRAZOLO[4,3-B]INDOLES TAKEDA PHARMACEUTICALS CO (JP) 2017-02-22 EP claimed
US-9475816-B2 Substituted-1,4-dihydropyrazolo[4,3-b]indoles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US claimed
US-9434743-B2 Indazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-06 US claimed
EP-2909212-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES Takeda Pharmaceutical Company Limited (JP) 2015-08-26 EP claimed
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US claimed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 US claimed
WO-2014039831-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-13 WO claimed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 WO claimed
WO-2024149990-A1 NIRMATRELVIR ANALOGS AS 3C LIKE PROTEASE INHIBITORS FOR TREATING VIRAL INFECTIONS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-07-18 WO disclosed
US-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 US disclosed
CN-118317949-A Isoindolines as PMS2 inhibitors 奈奥芬莱有限公司 2024-07-09 CN disclosed
CN-118317954-A Indoline as PROTAC compound 奈奥芬莱有限公司 2024-07-09 CN disclosed
WO-2008125811-A1 N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-23 WO disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK SMN1; SMN2 1965/4885CYP1A2 3001/4885GSK3B 1207/4885
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGB5 SMN1; SMN2 1731/4885CYP1A2 4340/4885GSK3B 2164/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B SMN1; SMN2 3084/4885CYP1A2 3894/4885GSK3B 1750/4885
US-20150005232-A1 INDAZOLE DERIVATIVES GPR119, INSR, INSRR SMN1; SMN2 1621/4885CYP1A2 6/4885GSK3B 1536/4885
US-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS HSP90AA1, HSP90AB1, HSP90AB2P SMN1; SMN2 4559/4885CYP1A2 2421/4885GSK3B 2756/4885
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ITGB1, ITGA2B, ITGB5 SMN1; SMN2 1605/4885CYP1A2 4358/4885GSK3B 1141/4885
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 SMN1; SMN2 4018/4885CYP1A2 208/4885GSK3B 905/4885
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES GPR119, RPLP2, FOXM1 SMN1; SMN2 1529/4885CYP1A2 48/4885GSK3B 1170/4885

“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.