SCHEMBL19681732

SCHEMBL19681732

Cc1cc(-c2cccnc2)nc2c(C(N)=O)ncn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.44
MKNK2 Q9HBH9 6/20 0.44
CYP2A6 P11509 3/20 0.44
IKBKB O14920 1/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2E1 P05181 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATR Q13535 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
HTT P42858 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
SCHEMBL19438303 0.89 KDM4E (0.46) MKNK1MKNK2CYP2A6CYP2C19CYP2E1
SCHEMBL19437999 0.84 KDM4E (0.49) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL19449609 0.84 DYRK1A (0.47) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL19449434 0.82 HPGDS (0.46) KDM4EALDH1A1MAPK1HSD17B10ATR
SCHEMBL19449402 0.81 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL19449583 0.81 IKBKB (0.48) IKBKBCYP3A4LMNAKDM4EALDH1A1
SCHEMBL19681745 0.80 ADORA2A (0.39) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL19449634 0.80 MEN1 (0.38) LMNAKMT2AKDM4EALDH1A1MAPK1
SCHEMBL23901571 0.79 LMNA (0.46) MKNK1MKNK2LMNAKMT2AATR
SCHEMBL19449422 0.79 DYRK1A (0.49) KMT2AKDM4EALDH1A1HSD17B10

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-20170349599-A1 IMIDAZO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-12-07 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-20170349599-A1 IMIDAZO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, GBA2 MKNK1 3187/4885MKNK2 3572/4885CYP2A6 1639/4885

“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.