SCHEMBL6240497

SCHEMBL6240497

COc1ccccc1CCNc1nc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BRCA1 P38398 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PAK4 O96013 5/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ EHMT1 Q9H9B1 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
SCHEMBL6243295 0.93 KDM4E (0.45) HSD17B10HTR6CYP1A2CYP3A4KDM4E
SCHEMBL6240196 0.91 PAK4 (0.40) HSD17B10HTR6CYP1A2CYP3A4KDM4E
SCHEMBL6240858 0.89 PAK4 (0.40) HSD17B10HTR6CYP1A2CYP3A4KDM4E
SCHEMBL6238909 0.89 CDK1 (0.43) HSD17B10HTR6CYP1A2CYP3A4KDM4E
SCHEMBL6237654 0.88 KDM4E (0.42) HSD17B10HTR6CYP1A2CYP3A4KDM4E
SCHEMBL6244551 0.87 HTR6 (0.51) HSD17B10HTR6CYP1A2CYP3A4KDM4E
SCHEMBL6212762 0.87 ALDH1A1 (0.49) HSD17B10HTR6CYP1A2CYP3A4KDM4E
SCHEMBL6214366 0.85 PTK2 (0.43) HSD17B10HTR6CYP1A2CYP3A4KDM4E
SCHEMBL6243567 0.85 TBK1 (0.43) HSD17B10HTR6CYP1A2CYP3A4KDM4E
SCHEMBL6240449 0.85 CDK1 (0.43) HSD17B10HTR6CYP1A2CYP3A4KDM4E

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 HSD17B10 816/4885HTR6 3342/4885CYP1A2 677/4885

“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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