SCHEMBL4619629

SCHEMBL4619629

OC[C@H](Nc1nc(Cl)ncc1Cl)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.58
▸ CCNT1 O60563 3/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ CDK2 P24941 1/20 0.36
▸ STK17B O94768 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL14670569 1.00 NTRK1 (0.58) NTRK1CCNT1CDK9CCNCCDK8
SCHEMBL27717397 0.87 NTRK1 (0.48) NTRK1CCNT1CDK9CCNCCDK8
SCHEMBL14670400 0.86 NTRK1 (0.45) NTRK1CCNT1CDK9CCNCCDK8
SCHEMBL14670673 0.86 NTRK1 (0.45) NTRK1CCNT1CDK9CCNCCDK8
SCHEMBL14670573 0.86 EGFR (0.46) NTRK1CCNCCDK8EGFRLMNA
SCHEMBL14662047 0.86 EGFR (0.46) NTRK1CCNCCDK8EGFRLMNA
SCHEMBL14662045 0.86 EGFR (0.46) NTRK1CCNCCDK8EGFRLMNA
SCHEMBL14670408 0.85 NTRK1 (0.44) NTRK1CCNT1CDK9CDK2MAP4K1
SCHEMBL14670525 0.85 NTRK1 (0.44) NTRK1CCNT1CDK9CDK2MAP4K1
SCHEMBL14670669 0.82 NTRK1 (0.42) NTRK1STK17BSTK17AMAP4K1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194606-A1 Pyrazolyl-Amino-Substituted Pyrimidines and Their Use in the Treatment of Cancer ASTRAZENECA (SE) 2008-08-14 — — US disclosed
CN-101218229-A Pyrazolyl-amino-substituted pyrimidines and their use in the treatment of cancer ASTRAZENECA AB (SE) 2008-07-09 — — CN disclosed
EP-1888561-A1 PYRAZOLYL-AMINO- SUBSTITUTED PYRIMIDINES AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-02-20 — — EP disclosed
WO-2006117560-A1 PYRAZOLYL-AMINO- SUBSTITUTED PYRIMIDINES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-11-09 — — 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 (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-20080194606-A1 Pyrazolyl-Amino-Substituted Pyrimidines and Their Use in the Treatment of Cancer TYMS, TYMP, DPYD NTRK1 4196/4885CCNT1 124/4885CDK9 46/4885

“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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