SCHEMBL4410460

SCHEMBL4410460

COc1cc(OC)c(F)c(NCc2cnc(SC)nc2CCN)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
DHFR P00374 3/20 0.34
HTR2A P28223 6/20 0.33
HTR2C P28335 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTR2B P41595 1/20 0.31
SLC22A1 O15245 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4410449 0.80 HTT (0.43) HTTALDH1A1
SCHEMBL6736865 0.79 DHFR (0.46) HTTDHFR
SCHEMBL3970879 0.77 HTT (0.38) HTTDHFRMEN1KMT2AALDH1A1
SCHEMBL4401606 0.77 HTT (0.39) HTT
SCHEMBL4403040 0.75 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL4405370 0.75 PDGFRB (0.40) HTTMEN1KMT2AALDH1A1CYP2C19
SCHEMBL30262072 0.72 ALDH1A1 (0.39) HTTDHFRMEN1KMT2AALDH1A1
SCHEMBL16071766 0.72 ALDH1A1 (0.39) HTTDHFRMEN1KMT2AALDH1A1
SCHEMBL18033837 0.69 DHFR (0.39) DHFRKMT2ATSHR
SCHEMBL16176631 0.69 SLC6A4 (0.34) DHFRHTR2ATAAR1MEN1KMT2A

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-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 US 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 HTT 4608/4885DHFR 117/4885HTR2A 4038/4885

“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.