SCHEMBL6239654

SCHEMBL6239654

Fc1ccc(CNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.44
▸ NTRK1 P04629 2/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CLK1 P49759 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MARK3 P27448 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
SCHEMBL6215499 0.92 HTR6 (0.39) CDK1NTRK1HTR6HTR2CKDM4E
SCHEMBL6236216 0.92 STK17B (0.42) CDK1NTRK1HTR6HTR2CKDM4E
SCHEMBL6210939 0.92 HTR2C (0.42) CDK1NTRK1HTR6HTR2CKDM4E
SCHEMBL6212141 0.92 KDM4E (0.43) CDK1NTRK1HTR6HTR2CKDM4E
SCHEMBL6212597 0.92 NTRK1 (0.49) NTRK1CCNT1CDK9PTK2
SCHEMBL6210924 0.92 JAK2 (0.40) CDK1HTR6HTR2CKDM4EALDH1A1
SCHEMBL6211382 0.90 HTR6 (0.52) HTR6HTR2CKDM4EALDH1A1MAPT
SCHEMBL6211739 0.89 PTK2 (0.51) CDK1NTRK1CCNT1CDK9PTK2
SCHEMBL6829553 0.89 CDK9 (0.40) CDK1NTRK1HTR6HTR2CKDM4E
SCHEMBL6212354 0.89 JAK2 (0.38) CDK1NTRK1HTR6HTR2CKDM4E

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 6 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
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 — — EP disclosed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 — — US disclosed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 — — WO 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 29/4885NTRK1 4221/4885HTR6 3342/4885

“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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