SCHEMBL6236421

SCHEMBL6236421

Brc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NCCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ MARK3 P27448 3/20 0.39
▸ MARK4 Q96L34 2/20 0.39
▸ STK17A Q9UEE5 2/20 0.39
▸ DRD2 P14416 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ TBK1 Q9UHD2 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
SCHEMBL6237654 0.93 KDM4E (0.42) HTR6KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6243731 0.92 IGF1R (0.44) HTR6KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6237567 0.92 KDM4E (0.41) HTR6KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6242661 0.92 STK17A (0.45) HTR6KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6244551 0.90 HTR6 (0.51) HTR6KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6243567 0.89 TBK1 (0.43) HTR6KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6242731 0.88 MARK3 (0.40) HTR6KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6238407 0.88 TBK1 (0.43) HTR6MARK3MARK4STK17ATBK1
SCHEMBL6234855 0.88 IGF1R (0.44) HTR6KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6214366 0.88 PTK2 (0.43) HTR6KDM4EALDH1A1MAPTHSD17B10

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 HTR6 3342/4885KDM4E 2081/4885ALDH1A1 218/4885

“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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