SCHEMBL3778417

SCHEMBL3778417

CC(C)(C)OC(=O)Nc1nc(-c2ccc3nc(C(=O)Nc4ccccc4)cn3c2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
NR4A2 P43354 1/20 0.56
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1733154 0.89 HDAC3 (0.43) CYP2C9NR4A2NPC1RAB9AMEN1
SCHEMBL3773727 0.83 KDM4E (0.44) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL1733155 0.81 RAB9A (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3765093 0.80 NR4A2 (0.67) CYP2C9NR4A2NPC1RAB9AMEN1
SCHEMBL19914270 0.79 TDP1 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL15419111 0.76 MAPT (0.42) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL8321552 0.76 MAPT (0.66) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL15418890 0.74 CYP2C9 (0.52) CYP2C9NR4A2NPC1RAB9A
SCHEMBL1734134 0.74 KDM4E (0.53) CYP2C9NR4A2NPC1RAB9AKDM4E
SCHEMBL3366348 0.74 CYP2C9 (0.73) CYP2C9NR4A2NPC1RAB9A

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
US-8691990-B2 6-heterocyclic imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-04-08 US disclosed
EP-2225240-B1 Derivatives of 6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2014-01-22 EP disclosed
US-8314109-B2 6-heterocyclic-imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-20 US disclosed
US-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 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-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF REN, IDH2, GLS CYP2C9 231/4885NR4A2 1987/4885NPC1 2499/4885

“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.