SCHEMBL20912232

SCHEMBL20912232

Cc1cnc(C)c(-n2cccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
G6PD P11413 1/20 0.47
TDO2 P48775 1/20 0.41
NPC1 O15118 2/20 0.39
MAPK1 P28482 1/20 0.39
KAT6A Q92794 1/20 0.36
GRM5 P41594 3/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
BDKRB2 P30411 1/20 0.34
NOTUM Q6P988 1/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL19480895 0.83 TDO2 (0.46) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL14909032 0.83 TDO2 (0.46) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL26769890 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL26313687 0.75 TDO2 (0.45) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL28050840 0.75 NOTUM (0.46) NOTUM
SCHEMBL2172244 0.74 MAPK1 (0.49) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL29543738 0.74 MAPK1 (0.49) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL18218832 0.73 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL16727179 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL13822152 0.72 MAPT (0.37) ALDH1A1KMT2AKDM4EMAPTLMNA

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-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-11 US disclosed
US-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-18 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 (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-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES HCRTR2, HCRTR1, CNR2 ALDH1A1 557/4885KMT2A 955/4885KDM4E 2364/4885
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity HCRTR2, HCRTR1, CNR1 ALDH1A1 747/4885KMT2A 1113/4885KDM4E 2986/4885

“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.