SCHEMBL16319380

SCHEMBL16319380

COc1ccc(F)c(-c2cnc(C#N)nc2OCC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
GRM2 Q14416 2/20 0.38
IDH2 P48735 1/20 0.36
SGK1 O00141 2/20 0.36
USP8 P40818 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
HPGDS O60760 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM1A O60341 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
SCHEMBL16319017 0.81 FFAR1 (0.42) FFAR1IDH2SGK1NPC1RAB9A
SCHEMBL16318882 0.76 FFAR1 (0.43) FFAR1SGK1NPC1RAB9AKDM4E
SCHEMBL16319342 0.75 FFAR1 (0.45) FFAR1IDH2SGK1NPC1RAB9A
SCHEMBL16319023 0.75 FFAR1 (0.45) FFAR1GRM2IDH2SGK1NPC1
SCHEMBL16318846 0.72 FFAR1 (0.43) FFAR1GRM2IDH2SGK1KDM4E
SCHEMBL16319368 0.70 FFAR1 (0.39) FFAR1IDH2NPC1RAB9AKDM4E
SCHEMBL16318461 0.69 MAP3K7 (0.39) CTSSCTSKPOLBMEN1KMT2A
SCHEMBL16319382 0.68 CASP3 (0.42) FFAR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL16319385 0.67 FFAR1 (0.42) FFAR1IDH2NPC1RAB9ACYP11B1
SCHEMBL17621384 0.66 OPRL1 (0.36) CYP11B1CYP11B2CTSSCTSKSQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 FFAR1 31/4885GRM2 765/4885IDH2 4057/4885

“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.