SCHEMBL6243567

SCHEMBL6243567

Brc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.43
▸ IGF1R P08069 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HSD17B10 Q99714 2/20 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 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ STK17A Q9UEE5 2/20 0.40
▸ STK17B O94768 1/20 0.40
▸ MARK3 P27448 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
SCHEMBL6237654 0.95 KDM4E (0.42) TBK1IGF1RKDM4EALDH1A1MAPT
SCHEMBL6212141 0.91 KDM4E (0.43) TBK1IGF1RKDM4EALDH1A1MAPT
SCHEMBL6243731 0.89 IGF1R (0.44) TBK1IGF1RKDM4EALDH1A1MAPT
SCHEMBL6236421 0.89 HTR6 (0.40) TBK1IGF1RKDM4EALDH1A1MAPT
SCHEMBL6237567 0.88 KDM4E (0.41) TBK1IGF1RKDM4EALDH1A1MAPT
SCHEMBL6242661 0.88 STK17A (0.45) IGF1RKDM4EALDH1A1MAPTHSD17B10
SCHEMBL6238407 0.87 TBK1 (0.43) TBK1HTR6STK17AMARK3MARK4
SCHEMBL6242731 0.87 MARK3 (0.40) TBK1IGF1RKDM4EALDH1A1MAPT
SCHEMBL6234855 0.87 IGF1R (0.44) TBK1IGF1RKDM4EALDH1A1MAPT
SCHEMBL6214366 0.87 PTK2 (0.43) TBK1IGF1RKDM4EALDH1A1MAPT

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 TBK1 4758/4885IGF1R 93/4885KDM4E 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.

Send feedback