SCHEMBL5214796

SCHEMBL5214796

CS(=O)(=O)Nc1ccccc1CNc1nc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.46
▸ NTRK1 P04629 6/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL5208214 0.90 PTK2 (0.61) PTK2
SCHEMBL5213012 0.88 PTK2 (0.48) PTK2CDK1
SCHEMBL6240449 0.88 CDK1 (0.43) PTK2CDK1EGFRKDM4EALDH1A1
SCHEMBL5213222 0.88 PTK2 (0.48) PTK2NTRK1CDK1KDM4EALDH1A1
SCHEMBL6211231 0.86 CDK1 (0.43) PTK2NTRK1CDK1KDM4EALDH1A1
SCHEMBL6212509 0.86 CDK1 (0.50) PTK2NTRK1CDK1KDM4EALDH1A1
SCHEMBL6237252 0.86 CDK1 (0.45) PTK2NTRK1CDK1KDM4EALDH1A1
SCHEMBL6243295 0.86 KDM4E (0.45) PTK2NTRK1CDK1EGFRKDM4E
SCHEMBL5210760 0.86 PTK2 (0.50) PTK2NTRK1CDK1CYP3A4MAPK1
SCHEMBL6239285 0.86 CDK1 (0.42) PTK2CDK1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, CCNA1 PTK2 3610/4885NTRK1 4052/4885CDK1 27/4885

“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.

Send feedback