SCHEMBL7913613

SCHEMBL7913613

COc1ccc(-c2cc(=O)c3cccnc3[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.70
ADORA1 P30542 2/20 0.70
CCNB2 O95067 2/20 0.67
CDK1 P06493 2/20 0.67
CCNB1 P14635 2/20 0.67
CCNB3 Q8WWL7 2/20 0.67
RIPK1 Q13546 1/20 0.67
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 5/20 0.63
HPGD P15428 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 1/20 0.63
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CDK5 Q00535 1/20 0.58
CDK5R1 Q15078 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 1/20 0.54
CYP1A1 P04798 1/20 0.53

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
SCHEMBL30472919 1.00 ADORA2A (0.70) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL7925181 0.87 ADORA2A (0.67) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL3866419 0.83 ADORA2A (1.00) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL7921814 0.82 ADORA2A (0.76) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL7925170 0.82 ADORA2A (0.76) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL27167216 0.81 ADORA2A (0.70) ADORA2AADORA1RIPK1
SCHEMBL31064954 0.80 RIPK1 (1.00) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL1778522 0.80 RIPK1 (1.00) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL7922300 0.80 KDM4E (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL7913593 0.80 ADORA2A (0.72) ADORA2AADORA1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002348-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-01-04 US disclosed
EP-4204410-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research, an Indian registered body incorporated under the Registration of Societies Act (Act XXI of 1860) (IN) 2023-07-05 EP disclosed
WO-2022044033-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860)) (IN) 2022-03-03 WO disclosed
US-6229016-B1 PYRIDOPYRIMIDINE DERIVATIVES AS CHEMICAL INTERMEDIATES; POLYMERIZATION INHIBITION OF TUBULIN THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-05-08 US disclosed
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 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-20240002348-A1 QUINOLONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF SQLE, NQO2, CYP1B1 ADORA2A 2566/4885ADORA1 2289/4885CCNB2 304/4885

“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.