SCHEMBL6446927

SCHEMBL6446927

c1ccc(Nc2ncc3[nH]cnc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 1.00
▸ CDK1 P06493 3/20 0.64
▸ CDK7 P50613 2/20 0.64
▸ CCNT1 O60563 1/20 0.64
▸ CCNB1 P14635 1/20 0.64
▸ CDK9 P50750 1/20 0.64
▸ CCNH P51946 1/20 0.64
▸ POLA1 P09884 1/20 0.61
▸ NEK2 P51955 2/20 0.52
▸ AURKA O14965 2/20 0.52
▸ LCK P06239 2/20 0.52
▸ FYN P06241 2/20 0.52
▸ LYN P07948 2/20 0.52
▸ SRC P12931 2/20 0.52
▸ RPS6KB1 P23443 2/20 0.52
▸ CSNK1D P48730 2/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ CHEK1 O14757 2/20 0.52
▸ CHEK2 O96017 1/20 0.52
▸ ABL1 P00519 1/20 0.52

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
SCHEMBL27491045 0.84 CDK2 (0.73) CDK2CDK1CDK7CCNT1CCNB1
SCHEMBL8855125 0.84 CDK2 (0.72) CDK2CDK1CDK7CCNT1CCNB1
SCHEMBL28251677 0.83 CDK2 (0.70) CDK2CDK1CDK7CCNT1CCNB1
SCHEMBL8855120 0.80 CDK2 (0.67) CDK2CDK1CDK7CCNT1CCNB1
SCHEMBL16171 0.78 CDK2 (0.64) CDK2CDK1CDK7CCNT1CCNB1
SCHEMBL31346834 0.77 CDK2 (0.62) CDK2CDK1CDK7CCNT1CCNB1
SCHEMBL8542833 0.77 CDK2 (0.62) CDK2CDK1CDK7CCNT1CCNB1
SCHEMBL31229672 0.77 CDK2 (0.62) CDK2CDK1CDK7CCNT1CCNB1
SCHEMBL13256589 0.75 CDK2 (0.60) CDK2CDK1CDK7CCNT1CCNB1
SCHEMBL3026520 0.75 CDK2 (0.60) CDK2CDK1CDK7NEK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519507-C Gallic acid derivative and its preparation method COUNCIL SCIENT IND RES (IN) 2009-07-29 — — CN claimed
CN-1213047-C Puring derivatives inhibitors of tyrosine kinase SYK NOVARTIS AG (CH) 2005-08-03 — — CN claimed
CN-1365360-A purine derivative inhibitors of tyrosine protein kinase SYK NOVARTIS AG (CH) 2002-08-21 — — CN claimed
CN-117770053-A Fertilizing and planting method for mangoes in karst area 中国地质调查局昆明自然资源综合调查中心 2024-03-29 — — CN disclosed
CN-107556389-B Plant transactivation interaction motifs and uses thereof 陶氏益农公司 2021-10-26 — — CN disclosed
CN-107567503-A Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2018-01-09 — — CN disclosed
CN-107001376-A The compound for the treatment of cancer 拜耳制药股份公司 2017-08-01 — — CN disclosed
CN-105408332-B Substituted triazolopyridines 拜耳制药股份公司 2017-05-10 — — CN disclosed
CN-103408546-A 2-phenylaminopurine PLK1 (Polo-like kinase 1) inhibitors and applications thereof UNIV CHINA PHARMA 2013-11-27 — — CN disclosed
CN-103408546-A 2-phenylaminopurine PLK1 (Polo-like kinase 1) inhibitors and applications thereof UNIV CHINA PHARMA 2013-11-27 — — CN disclosed
CN-100519507-C Gallic acid derivative and its preparation method COUNCIL SCIENT IND RES (IN) 2009-07-29 — — CN disclosed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 — — WO disclosed
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 — — US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 — — EP disclosed
US-20030114414-A1 Methods for synthesizing substituted pyrimidines NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 — — US disclosed
WO-2002102769-A2 METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES UNIVERSITY OF MASSACHUSETTS (US) 2002-12-27 — — WO disclosed
CN-1365360-A purine derivative inhibitors of tyrosine protein kinase SYK NOVARTIS AG (CH) 2002-08-21 — — CN disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 — — WO disclosed
CN-1062902-C Fatty acyl reductases CALGENE INC (US) 2001-03-07 — — CN disclosed
CN-1064312-A FATTY ACYL REDUCTASES CALGENE INC (US) 1992-09-09 — — CN 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 (2 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-20030114414-A1 Methods for synthesizing substituted pyrimidines TYMP, NUDT1, TYMS CDK2 151/4885CDK1 491/4885CDK7 164/4885
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CCNA1, CDKL1, CCNK CDK2 13/4885CDK1 4/4885CDK7 23/4885

“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.

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