SCHEMBL6212279

SCHEMBL6212279

Brc1cnc(Nc2ccc3[nH]cnc3c2)nc1NCCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 11/20 0.54
▸ PTK2 Q05397 2/20 0.50
▸ PTK2B Q14289 2/20 0.50
▸ IGF1R P08069 3/20 0.49
▸ FGFR1 P11362 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ MARK3 P27448 2/20 0.42
▸ MARK4 Q96L34 2/20 0.42
▸ STK17A Q9UEE5 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ STK17B O94768 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ MAPK3 P27361 1/20 0.41

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
SCHEMBL6212019 0.90 PTK2 (0.61) CDK1PTK2PTK2BIGF1RFGFR1
SCHEMBL6209954 0.86 IGF1R (0.51) CDK1PTK2PTK2BIGF1RFGFR1
SCHEMBL6210950 0.85 PTK2 (0.49) CDK1PTK2PTK2BIGF1RFGFR1
SCHEMBL6210226 0.84 PTK2 (0.61) PTK2PTK2BIGF1RFGFR1KDR
SCHEMBL6212362 0.84 PTK2 (0.53) CDK1PTK2PTK2BIGF1RFGFR1
SCHEMBL6211620 0.83 PTK2 (0.54) CDK1PTK2PTK2BIGF1RFGFR1
SCHEMBL6211846 0.82 EGFR (0.53) CDK1PTK2PTK2BIGF1RFGFR1
SCHEMBL6214288 0.82 PTK2 (0.49) CDK1PTK2PTK2BIGF1RFGFR1
SCHEMBL6211871 0.82 PTK2 (0.53) CDK1PTK2PTK2BIGF1RFGFR1
SCHEMBL3450038 0.79 STK17A (0.55) PTK2PTK2BIGF1RKDRSTK17A

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
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 — — EP claimed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 — — US claimed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 — — WO claimed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 — — 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-20040220177-A1 Compound for the treatment of abnormal cell growth CCNA1, CCNB1, CCNT1 CDK1 29/4885PTK2 3004/4885PTK2B 1941/4885

“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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