SCHEMBL6212762

SCHEMBL6212762

COc1cccc(CCNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTR1D P28221 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ BRCA1 P38398 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HTR1A P08908 5/20 0.42
▸ DRD2 P14416 5/20 0.42
▸ JAK3 P52333 1/20 0.40
▸ IGF1R P08069 2/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ PAK4 O96013 4/20 0.39
▸ HTR2A P28223 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
SCHEMBL6242541 0.93 KDM4E (0.50) ALDH1A1CYP1A2CYP3A4MAPK1KDM4E
SCHEMBL6244551 0.92 HTR6 (0.51) ALDH1A1CYP1A2CYP3A4MAPK1KDM4E
SCHEMBL6242731 0.91 MARK3 (0.40) ALDH1A1CYP1A2CYP3A4MAPK1KDM4E
SCHEMBL6237654 0.90 KDM4E (0.42) ALDH1A1CYP1A2CYP3A4MAPK1KDM4E
SCHEMBL6234855 0.89 IGF1R (0.44) ALDH1A1CYP1A2CYP3A4MAPK1KDM4E
SCHEMBL6238407 0.89 TBK1 (0.43) HTR6NTRK1MARK3MARK4STK17A
SCHEMBL6243731 0.88 IGF1R (0.44) ALDH1A1CYP1A2CYP3A4MAPK1KDM4E
SCHEMBL6243567 0.87 TBK1 (0.43) ALDH1A1CYP1A2CYP3A4MAPK1KDM4E
SCHEMBL6237567 0.87 KDM4E (0.41) ALDH1A1CYP1A2CYP3A4MAPK1KDM4E
SCHEMBL6240497 0.87 HSD17B10 (0.43) ALDH1A1CYP1A2CYP3A4MAPK1KDM4E

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
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 — — US 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 ALDH1A1 218/4885CYP1A2 677/4885CYP3A4 2338/4885

“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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