SCHEMBL6209598

SCHEMBL6209598

Cc1cccc(CNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.44
▸ 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
▸ CYP1A2 P05177 2/20 0.40
▸ MEN1 O00255 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
▸ NTRK1 P04629 2/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 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
SCHEMBL6242731 0.93 MARK3 (0.40) PTK2HTR6KDM4EALDH1A1MAPT
SCHEMBL6210939 0.92 HTR2C (0.42) PTK2HTR6KDM4EALDH1A1MAPT
SCHEMBL6212141 0.92 KDM4E (0.43) PTK2HTR6KDM4EALDH1A1MAPT
SCHEMBL6212597 0.91 NTRK1 (0.49) PTK2NTRK1CDK9EGFR
SCHEMBL6242541 0.91 KDM4E (0.50) PTK2HTR6KDM4EALDH1A1MAPT
SCHEMBL6236688 0.90 PTK2 (0.42) PTK2HTR6KDM4EALDH1A1MAPT
SCHEMBL5215707 0.89 PTK2 (0.60) PTK2NTRK1CDK1JAK2JAK3
SCHEMBL5213222 0.89 PTK2 (0.48) PTK2HTR6KDM4EALDH1A1MAPT
SCHEMBL6216079 0.88 NTRK1 (0.47) PTK2NTRK1
SCHEMBL5210356 0.88 PTK2 (0.60) PTK2

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 PTK2 3004/4885HTR6 3342/4885KDM4E 2081/4885

“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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