SCHEMBL25992020

SCHEMBL25992020

N#Cc1c(-c2ccncc2)nc(-c2ccncc2)c(C#N)c1-c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.57
ADORA2A P29274 3/20 0.57
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GRM5 P41594 4/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL12681345 0.85 MAPT (0.48) ADORA1ADORA2AMEN1KMT2AKDM4E
SCHEMBL398975 0.80 ADORA1 (0.62) ADORA1ADORA2AHSD17B10ALDH1A1HPGD
SCHEMBL15298220 0.78 ADORA1 (0.56) ADORA1ADORA2AMEN1KMT2AKDM4E
SCHEMBL395158 0.76 GRM5 (0.56) ADORA1ADORA2AHSD17B10ALDH1A1GRM5
SCHEMBL25992022 0.74 ADORA1 (0.63) ADORA1ADORA2AMEN1KMT2AKDM4E
SCHEMBL17439172 0.74 ADORA1 (0.56) ADORA1ADORA2AHSD17B10GRM5
SCHEMBL396360 0.73 ADORA1 (0.69) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL15573454 0.73 KDM4E (0.67) ADORA1ADORA2AMEN1KMT2AKDM4E
SCHEMBL31665902 0.72 MAPT (0.62) ADORA1ADORA2AKDM4ECSNK1A1CSNK1D
SCHEMBL20740893 0.72 KDM4E (0.42) ADORA1ADORA2AMEN1KMT2AKDM4E

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-20230263053-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-08-17 US disclosed
US-20230263053-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-08-17 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-20230263053-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME PPOX, CRY1, CRY2 ADORA1 3376/4885ADORA2A 1718/4885MEN1 1665/4885

“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.