SCHEMBL10252736

SCHEMBL10252736

CCn1c(C#Cc2cccc(O)c2)c(N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.36
FFAR1 O14842 1/20 0.35
KIF11 P52732 1/20 0.34
S1PR1 P21453 1/20 0.33
PTPN1 P18031 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PTGES O14684 1/20 0.32
SRC P12931 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32

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
SCHEMBL13153280 0.87 GRM5 (0.44) GRM5FFAR1KIF11S1PR1
SCHEMBL13152732 0.86 SRC (0.34) FFAR1KIF11PTPN1SRCPRKACA
SCHEMBL13151712 0.85 GRM5 (0.46) GRM5FFAR1CA12CA1CA2
SCHEMBL10095413 0.85 S1PR1 (0.38) GRM5FFAR1KIF11S1PR1PTPN1
SCHEMBL13153268 0.83 KIF11 (0.35) GRM5FFAR1KIF11S1PR1
SCHEMBL13152814 0.82 KIF11 (0.35) GRM5FFAR1KIF11S1PR1SRC
SCHEMBL10249314 0.82 DYRK1A (0.41) GRM5FFAR1CA12CA1CA2
SCHEMBL13152758 0.80 KIF11 (0.32) GRM5KIF11S1PR1
SCHEMBL13152741 0.80 L3MBTL1 (0.40) GRM5
SCHEMBL13152551 0.75 DYRK1A (0.38) GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRM5 3175/4885FFAR1 4017/4885KIF11 3319/4885

“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.