SCHEMBL24926671

SCHEMBL24926671

COc1ccc(-c2nccnc2C(C)C)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SYK P43405 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL23212689 0.88 PDCD1 (0.37) NPC1RAB9ASYKRXFP1CCR1
SCHEMBL29776067 0.88 PDCD1 (0.37) NPC1RAB9ASYKRXFP1CCR1
SCHEMBL29776082 0.88 DYRK1A (0.42) NPC1RAB9ASYKRXFP1CCR1
SCHEMBL23212759 0.88 DYRK1A (0.42) NPC1RAB9ASYKRXFP1CCR1
SCHEMBL23329672 0.83 TGFBR1 (0.34) KDM4ETNKS
SCHEMBL24845019 0.81 CYP3A4 (0.31)
SCHEMBL19672911 0.78 ALDH1A1 (0.42) NPC1RAB9ASYKKDM4EALDH1A1
SCHEMBL23329668 0.77 GBA1 (0.33) NPC1RAB9AKDM4EALDH1A1
SCHEMBL24926786 0.77 TGFBR1 (0.33) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL23329670 0.77 TGFBR1 (0.36) SYKGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 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-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES DDT, PRXL2A, CAT NPC1 4458/4885RAB9A 683/4885SYK 4201/4885

“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.