SCHEMBL16102243

SCHEMBL16102243

NC(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1N

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CSNK2A2 P19784 2/20 0.58
CSNK2A1 P68400 2/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RXFP1 Q9HBX9 2/20 0.57
WNT3A P56704 2/20 0.57
ALDH1A1 P00352 1/20 0.52
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
GFER P55789 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PTGES O14684 2/20 0.49
ALOX5 P09917 2/20 0.49
DDX3X O00571 1/20 0.49

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
SCHEMBL16102541 0.87 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL16102824 0.84 RAB9A (0.62) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL16101701 0.84 RAB9A (0.62) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL16102177 0.84 RAB9A (0.62) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL16101372 0.83 NPC1 (0.55) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL16102178 0.81 WNT3A (0.58) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL16101712 0.81 NPC1 (0.67) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL16101666 0.81 RAB9A (0.61) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL11480689 0.79 CSNK2A2 (0.83) NPC1RAB9AKDM4ESMN1; SMN2CSNK2A2
SCHEMBL16102875 0.79 WNT3A (0.60) NPC1RAB9AKDM4ESMN1; SMN2WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
EP-2976327-A2 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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 (2 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-20160263122-A1 NOVEL COMPOUNDS NAT1, AADAC, CBR3 NPC1 184/4885RAB9A 2147/4885KDM4E 2232/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 NPC1 215/4885RAB9A 2650/4885KDM4E 2327/4885

“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.