SCHEMBL6236216

SCHEMBL6236216

Clc1ccc(CNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ NTRK1 P04629 3/20 0.41
▸ IGF1R P08069 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTR2C P28335 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
▸ DRD2 P14416 1/20 0.38
▸ ALOX15 P16050 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
SCHEMBL6242661 0.92 STK17A (0.45) STK17BSTK17AIGF1RCDK1HTR6
SCHEMBL6210939 0.92 HTR2C (0.42) NTRK1IGF1RCDK1HTR6KDM4E
SCHEMBL6239654 0.92 CDK1 (0.44) NTRK1CDK1HTR6KDM4EALDH1A1
SCHEMBL6212141 0.92 KDM4E (0.43) NTRK1IGF1RCDK1HTR6KDM4E
SCHEMBL6215499 0.91 HTR6 (0.39) STK17BSTK17ANTRK1CDK1HTR6
SCHEMBL6211382 0.90 HTR6 (0.52) IGF1RHTR6KDM4EALDH1A1MAPT
SCHEMBL6210924 0.90 JAK2 (0.40) IGF1RCDK1HTR6KDM4EALDH1A1
SCHEMBL6211739 0.89 PTK2 (0.51) STK17BNTRK1IGF1RCDK1PTK2
SCHEMBL6241707 0.89 KDM4E (0.43) NTRK1CDK1HTR6KDM4EALDH1A1
SCHEMBL6212509 0.88 CDK1 (0.50) STK17BSTK17ANTRK1IGF1RCDK1

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 STK17B 2945/4885STK17A 3078/4885NTRK1 4221/4885

“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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