SCHEMBL14520719

SCHEMBL14520719

Cc1ccc2c(N)nc(N)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.49
ADORA2A P29274 4/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
DCPS Q96C86 1/20 0.45
DHFR P00374 5/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL31115657 0.83 ADORA1 (0.49) ADORA1ADORA2AGAAKMT2AKDM4E
SCHEMBL11128572 0.78 DCPS (0.48) GAAKMT2ADCPSDHFRKDM4E
SCHEMBL5434097 0.75 DCPS (0.45) ADORA1ADORA2AGAADCPSDHFR
SCHEMBL24506810 0.75 DCPS (0.41) KMT2ADCPSDHFRKDM4EALDH1A1
SCHEMBL15841024 0.73 ADK (0.51) ADORA1ADORA2AGAAKMT2AKDM4E
SCHEMBL13622758 0.72 ADORA1 (0.64) ADORA1ADORA2AGAAKMT2AKDM4E
SCHEMBL3735138 0.72 PTPN1 (0.70) ADORA2ADCPSDHFR
SCHEMBL25631527 0.71 KMT2A (0.48) ADORA1ADORA2AGAAKMT2AKDM4E
SCHEMBL13040779 0.71 NLRP3 (0.61) ADORA1ADORA2AGAADCPSDHFR
SCHEMBL11198287 0.67 KMT2A (0.48) ADORA1ADORA2AGAAKMT2AMAPT

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-20070082920-A1 NAD+-dependent DNA ligase inhibitors Ricerca Biosciences, LLC 2007-04-12 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-20070082920-A1 NAD+-dependent DNA ligase inhibitors LIG3, LIG1, NQO1 ADORA1 1049/4885ADORA2A 968/4885GAA 3219/4885

“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.