SCHEMBL5213012

SCHEMBL5213012

CN(c1ccccc1CNc1nc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)ncc1Br)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 16/20 0.48
▸ PTK2B Q14289 5/20 0.48
▸ AURKA O14965 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ CLK2 P49760 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ BTK Q06187 1/20 0.40
▸ CDK1 P06493 1/20 0.39

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
SCHEMBL5212938 0.91 PTK2 (0.61) PTK2PTK2BAURKABRD4
SCHEMBL5210760 0.91 PTK2 (0.50) PTK2PTK2BAURKACLK2AURKB
SCHEMBL5214796 0.88 PTK2 (0.46) PTK2CDK1
SCHEMBL6240449 0.87 CDK1 (0.43) PTK2PTK2BCDK1
SCHEMBL5210356 0.87 PTK2 (0.60) PTK2PTK2B
SCHEMBL6212509 0.86 CDK1 (0.50) PTK2PTK2BBRD4CDK1
SCHEMBL6211231 0.86 CDK1 (0.43) PTK2PTK2BCDK1
SCHEMBL6237252 0.86 CDK1 (0.45) PTK2PTK2BCDK1
SCHEMBL6243295 0.85 KDM4E (0.45) PTK2PTK2BBRD4CDK1
SCHEMBL6239285 0.85 CDK1 (0.42) PTK2PTK2BCDK1

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 3610/4885PTK2B 3168/4885AURKA 313/4885

“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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