SCHEMBL4630887

SCHEMBL4630887

c1cc(Nc2ccncn2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.53
CDK9 P50750 1/20 0.53
CDK5 Q00535 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
KDR P35968 2/20 0.50
MKNK1 Q9BUB5 9/20 0.46
HSP90AA1 P07900 1/20 0.46
JAK2 O60674 2/20 0.43
TYK2 P29597 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
JAK1 P23458 1/20 0.43
MKNK2 Q9HBH9 3/20 0.41
EIF4E P06730 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
Hydrochloric Acid SCHEMBL7857018 0.97 GSK3A (0.51) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL31355479 0.87 KMT2A (0.57) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL31355480 0.87 KMT2A (0.57) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL3948701 0.87 KMT2A (0.57) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL14843891 0.85 MKNK1 (0.49) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL618208 0.85 GSK3A (0.47) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL28038987 0.83 HSP90AA1 (0.54) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL1323687 0.82 MAPT (0.53) CLK4KDRMKNK1CDK2CHRNB2
SCHEMBL2151545 0.82 GSK3A (0.42) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL29532960 0.82 GSK3A (0.49) GSK3ACDK9CDK5TAOK1CLK4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976336-A1 3-HETEROARYL SUBSTITUTED INDAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP claimed
CN-105209455-A 3-heteroaryl substituted indazoles Bayer Pharma AG 2015-12-30 CN claimed
WO-2014147203-A1 3-HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-20160281058-A1 AGENTS AND METHODS FOR INHIBITING HUMAN PLURIPOTENT STEM CELL GROWTH VIACYTE, INC. 2016-09-29 US disclosed
EP-2976336-A1 3-HETEROARYL SUBSTITUTED INDAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
CN-105209455-A 3-heteroaryl substituted indazoles Bayer Pharma AG 2015-12-30 CN disclosed
US-20150329822-A1 DIFFERENTIATED CELL POPULATION OF ENDOTHELIAL CELLS DERIVED FROM HUMAN PLURIPOTENT STEM CELLS, COMPOSITION, SYSTEM, KIT AND USES THEREOF Biocant - Associação De Transferência De Tecnologia (PT) 2015-11-19 US disclosed
EP-2935567-A2 DIFFERENTIATED CELL POPULATION OF ENDOTHELIAL CELLS DERIVED FROM HUMAN PLURIPOTENT STEM CELLS, COMPOSITION, SYSTEM, KIT AND USES THEREOF CNC - Centro de Neurociências E Biologia Molecular - Universidade de Coimbra (PT) 2015-10-28 EP disclosed
WO-2014147203-A1 3-HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014097192-A2 DIFFERENTIATED CELL POPULATION OF ENDOTHELIAL CELLS DERIVED FROM HUMAN PLURIPOTENT STEM CELLS, COMPOSITION, SYSTEM, KIT AND USES THEREOF CNC - CENTRO DE NEUROCIÊNCIAS E BIOLOGIA MOLECULAR - UNIVERSIDADE DE COIMBRA (PT) 2014-06-26 WO disclosed
EP-1924573-A1 B-RAF INHIBITORS AstraZeneca AB (SE) 2008-05-28 EP disclosed
WO-2006079791-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-03 WO disclosed
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 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 (1 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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 GSK3A 1013/4885CDK9 44/4885CDK5 441/4885

“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.