SCHEMBL4551244

SCHEMBL4551244

COc1cc(OC)c(Cl)[c]c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4398114 0.85 KDM4E (0.41) GAAKDM4EALDH1A1SMN1; SMN2HTR2A
SCHEMBL4551089 0.85 KDM4E (0.41) GAANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2237186 0.84 GAA (0.44) GAANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2233817 0.84 CYP3A4 (0.36) GAAKDM4EALDH1A1TSHRTDP1
SCHEMBL4543216 0.83 HMGCR (0.40) KDM4EALDH1A1TSHRCYP3A4MAPT
SCHEMBL4551033 0.82 HMGCR (0.39) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL4405926 0.74 HMGCR (0.42) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL5352148 0.73 HTR2A (0.36) ALDH1A1HTR2AHTR2CHTR2BTDP1
SCHEMBL4403250 0.71 KDM4E (0.46) GAAKDM4ESMN1; SMN2HTR2AHTR2C
SCHEMBL2344974 0.70 TRPV4 (0.36) GAANPC1KDM4EALDH1A1SMN1; SMN2

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 GAA 1727/4885NPC1 2536/4885KDM4E 954/4885

“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.