SCHEMBL6242731

SCHEMBL6242731

Cc1cccc(CCNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARK3 P27448 2/20 0.40
▸ MARK4 Q96L34 2/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ HTR6 P50406 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ STAT6 P42226 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL6209598 0.93 PTK2 (0.44) HTR6KDM4EALDH1A1MAPTHTR2C
SCHEMBL6237567 0.92 KDM4E (0.41) MARK3MARK4STK17AHTR6KDM4E
SCHEMBL6237654 0.92 KDM4E (0.42) MARK3MARK4STK17AHTR6KDM4E
SCHEMBL6234855 0.91 IGF1R (0.44) MARK3MARK4STK17AHTR6KDM4E
SCHEMBL6238407 0.91 TBK1 (0.43) MARK3MARK4STK17AHTR6TBK1
SCHEMBL6212762 0.91 ALDH1A1 (0.49) MARK3MARK4STK17AHTR6KDM4E
SCHEMBL6243731 0.90 IGF1R (0.44) MARK3MARK4STK17AHTR6KDM4E
SCHEMBL6236421 0.88 HTR6 (0.40) MARK3MARK4STK17AHTR6KDM4E
SCHEMBL6240196 0.88 PAK4 (0.40) HTR6KDM4EALDH1A1MAPTHTR2C
SCHEMBL6242661 0.87 STK17A (0.45) MARK3MARK4STK17AHTR6KDM4E

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 5 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
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 MARK3 4360/4885MARK4 4506/4885STK17A 3078/4885

“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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