SCHEMBL10254331

SCHEMBL10254331

CCn1c(C#Cc2ccc(NC(=O)[C@@H]3CCCN3)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 18/20 0.49
PFKFB1 P16118 17/20 0.49
PFKFB2 O60825 15/20 0.49
PSMB8 P28062 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL10095374 0.89 PFKFB3 (0.53) PFKFB3PFKFB1PFKFB2
SCHEMBL10249312 0.88 MTNR1A (0.42) MEN1NPC1RAB9AKMT2A
SCHEMBL10249955 0.87 MTNR1A (0.46) MEN1NPC1RAB9AKMT2A
SCHEMBL13152055 0.82 MTNR1A (0.46) PFKFB3PFKFB1PFKFB2MEN1NPC1
SCHEMBL10097656 0.82 PFKFB2 (0.48) PFKFB3PFKFB1PFKFB2MEN1NPC1
SCHEMBL13153378 0.81 NPC1 (0.42) PFKFB3PFKFB1PFKFB2MEN1NPC1
SCHEMBL13152172 0.80 MAPT (0.44) PFKFB3PFKFB1PFKFB2MEN1NPC1
SCHEMBL10097607 0.80 MTNR1A (0.46) PFKFB3PFKFB1PFKFB2MEN1NPC1
SCHEMBL10097782 0.79 L3MBTL1 (0.42) PFKFB3PFKFB1PFKFB2MEN1NPC1
SCHEMBL13151697 0.79 ALDH1A1 (0.42) MEN1KMT2A

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

“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.