SCHEMBL14745880

SCHEMBL14745880

Cn1ccc2cc(C#N)c(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
TRPV4 Q9HBA0 1/20 0.38
MAT2A P31153 1/20 0.38
CYP2A6 P11509 2/20 0.38
PIK3CB P42338 1/20 0.38
PGK1 P00558 1/20 0.37
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
AR P10275 2/20 0.36
MAOB P27338 1/20 0.36
BRD4 O60885 1/20 0.36
BRD1 O95696 1/20 0.36
BRPF1 P55201 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BRPF3 Q9ULD4 1/20 0.36
RORC P51449 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMO O15229 1/20 0.35

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
SCHEMBL16122570 0.79 PRKCI (0.55) PRKCICYP2A6PIK3CBMAOBL3MBTL1
SCHEMBL30030079 0.79 PRKCI (0.55) PRKCICYP2A6PIK3CBMAOBL3MBTL1
SCHEMBL18876122 0.77 PRKCI (0.42) PRKCICYP2A6PIK3CBPRKCQPRKCD
SCHEMBL17495093 0.76 PRKCI (0.41) PRKCICYP2A6PIK3CBPRKCQPRKCD
SCHEMBL18876201 0.74 PRKCI (0.50) PRKCICYP2A6PIK3CBMAOBL3MBTL1
SCHEMBL15899338 0.73 PRKCI (0.58) PRKCICYP2A6PIK3CBMAOBGAA
SCHEMBL18853773 0.73 HTR2A (0.54) PRKCICYP2A6PIK3CBMAOB
SCHEMBL31735655 0.73 PRKCI (0.48) PRKCICYP2A6PIK3CBMAOBL3MBTL1
SCHEMBL18683804 0.72 PRKCI (0.60) PRKCICYP2A6PIK3CBMAOBBRD4
SCHEMBL33526183 0.71 PGK1 (0.43) MAT2APGK1MAOBKMOMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP PRKCI 2654/4885TRPV4 3931/4885MAT2A 3721/4885

“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.