SCHEMBL5209315

SCHEMBL5209315

CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)NC(=O)CC4)ncc2C(F)(F)F)c1

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 19/20 0.88
PTK2B Q14289 9/20 0.88
ULK1 O75385 3/20 0.88
CDK1 P06493 1/20 0.88
CCNB1 P14635 1/20 0.88
CDK7 P50613 1/20 0.88
AURKA O14965 1/20 0.54
BRD4 O60885 1/20 0.54

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
SCHEMBL31060602 0.94 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL29382158 0.94 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5212404 0.94 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL31732817 0.94 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL6212081 0.93 PTK2 (0.88) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5208623 0.91 PTK2 (0.73) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL17545007 0.90 PTK2 (0.92) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5215829 0.89 PTK2 (0.70) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL3146424 0.88 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5210397 0.88 PTK2 (0.80) PTK2PTK2BULK1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 US claimed
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 EP claimed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 US claimed
US-20220125788-A1 FAK inhibitor and drug combination thereof HINOVA PHARMACEUTICALS INC. (CN) 2022-04-28 US disclosed
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 US disclosed
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 EP disclosed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 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 (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-20220125788-A1 FAK inhibitor and drug combination thereof CD274, PDCD1, PTK2 PTK2 3/4885PTK2B 80/4885ULK1 880/4885
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, CCNA1 PTK2 3610/4885PTK2B 3168/4885ULK1 3275/4885

“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.