SCHEMBL10192306

SCHEMBL10192306

CCn1c(C#Cc2ccc(NC(=O)CN)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 7/20 0.51
PFKFB3 Q16875 7/20 0.51
PFKFB1 P16118 6/20 0.51
AS3MT Q9HBK9 5/20 0.51
NSD2 O96028 3/20 0.51
DOT1L Q8TEK3 2/20 0.51
RORC P51449 8/20 0.44
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10095382 0.93 RORC (0.45) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL10095424 0.90 MEN1 (0.45) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL10095377 0.88 PFKFB2 (0.55) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL982113 0.86 SMN1; SMN2 (0.45) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL10095390 0.84 SMN1; SMN2 (0.41) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL2881493 0.84 PARP10 (0.37) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL2881494 0.83 APP (0.41) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL10095412 0.83 PGR (0.45) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL10095379 0.83 CYP11B2 (0.38) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL10095401 0.81 HTT (0.39) HTTSMN1; 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 1 patent. 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

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 PFKFB2 4129/4885PFKFB3 4055/4885PFKFB1 4133/4885

“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.