SCHEMBL6238407

SCHEMBL6238407

Fc1cccc(CCNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 8/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ PDPK1 O15530 3/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ MARK4 Q96L34 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ CDK1 P06493 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CCNT1 O60563 1/20 0.38

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
SCHEMBL6212597 0.93 NTRK1 (0.49) NTRK1EGFRCDK9CCNT1
SCHEMBL6237654 0.92 KDM4E (0.42) TBK1MARK3MARK4STK17ACDK1
SCHEMBL6242731 0.91 MARK3 (0.40) TBK1EGFRMARK3MARK4STK17A
SCHEMBL6234855 0.91 IGF1R (0.44) TBK1MARK3MARK4STK17ACDK1
SCHEMBL6243731 0.90 IGF1R (0.44) TBK1MARK3MARK4STK17ACDK1
SCHEMBL6212762 0.89 ALDH1A1 (0.49) NTRK1MARK3MARK4STK17AHTR6
SCHEMBL6236421 0.88 HTR6 (0.40) TBK1MARK3MARK4STK17ACDK1
SCHEMBL6240858 0.88 PAK4 (0.40) MARK3STK17ACDK1HTR6
SCHEMBL6237567 0.87 KDM4E (0.41) TBK1EGFRMARK3MARK4STK17A
SCHEMBL6243567 0.87 TBK1 (0.43) TBK1CDK9MARK3MARK4STK17A

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 TBK1 4758/4885NTRK1 4221/4885EGFR 68/4885

“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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