SCHEMBL6240449

SCHEMBL6240449

Cc1ccccc1CNc1nc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 3/20 0.43
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ STAT6 P42226 1/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ CDK2 P24941 2/20 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
SCHEMBL6240196 0.93 PAK4 (0.40) CDK1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL6211231 0.91 CDK1 (0.43) CDK1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL6212509 0.91 CDK1 (0.50) CDK1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL6237252 0.91 CDK1 (0.45) CDK1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL6243295 0.90 KDM4E (0.45) CDK1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL6239285 0.90 CDK1 (0.42) CDK1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL6212141 0.89 KDM4E (0.43) CDK1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL5213071 0.89 PTK2 (0.41) CDK1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL5214796 0.88 PTK2 (0.46) CDK1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL6210939 0.88 HTR2C (0.42) CDK1MAPTKDM4EALDH1A1HSD17B10

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 CDK1 29/4885MAPT 4615/4885KDM4E 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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