SCHEMBL4395977

SCHEMBL4395977

CCOc1ccc(F)c(NCc2cnc(SC)nc2NC2CCCC2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
MERTK Q12866 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
TYRO3 Q06418 4/20 0.34
SELP P16109 3/20 0.33
PTGER2 P43116 5/20 0.33
NPBWR1 P48145 1/20 0.33

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
SCHEMBL4405370 0.83 PDGFRB (0.40) HTTALDH1A1LMNAMAPTMERTK
SCHEMBL4401606 0.79 HTT (0.39) HTTMERTKTYRO3SELPADORA1
SCHEMBL25046162 0.78 MERTK (0.43) HTTMERTKKMT2AMEN1GABBR2
SCHEMBL4395458 0.77 HTT (0.34) HTTALDH1A1LMNAHPGDTSHR
SCHEMBL4395453 0.77 HTT (0.34) HTTALDH1A1LMNAHPGDTSHR
SCHEMBL22184593 0.74 KMT2A (0.51) MERTKKMT2AMEN1GABBR2CYP1A2
SCHEMBL2622288 0.70 GABBR2 (0.47) HTTHSD17B10MERTKKMT2AMEN1
SCHEMBL22184570 0.70 KMT2A (0.47) HSD17B10MERTKKMT2AMEN1GABBR2
SCHEMBL3973217 0.70 KMT2A (0.47) MERTKKMT2AMEN1GABBR2CYP1A2
SCHEMBL24496115 0.70 KMT2A (0.47) MERTKKMT2AMEN1GABBR2CYP1A2

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 4608/4885ALDH1A1 1779/4885LMNA 2809/4885

“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.