SCHEMBL29684355

SCHEMBL29684355

Cc1nc(N)c2c(-c3ccc(N)cc3C)cn(C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.39
HAVCR2 Q8TDQ0 1/20 0.38
EIF2AK3 Q9NZJ5 4/20 0.35
PRKCI P41743 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 5/20 0.33
DYRK1A Q13627 3/20 0.33
EGFR P00533 1/20 0.33
CDK1 P06493 1/20 0.33
SRC P12931 1/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
NSD2 O96028 1/20 0.33
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23043996 1.00 CRHR1 (0.39) CRHR1HAVCR2EIF2AK3PRKCIADORA2A
SCHEMBL30060936 0.86 DYRK1A (0.39) EIF2AK3DYRK1ASRCMETAXL
SCHEMBL23057764 0.86 HAVCR2 (0.37) HAVCR2EIF2AK3PRKCIADORA2AADORA1
SCHEMBL23057767 0.86 DYRK1A (0.39) EIF2AK3DYRK1ASRCMETAXL
SCHEMBL30060898 0.86 HAVCR2 (0.37) HAVCR2EIF2AK3PRKCIADORA2AADORA1
SCHEMBL23057760 0.84 CRHR1 (0.41) CRHR1HAVCR2EIF2AK3PRKCIADORA1
SCHEMBL30062898 0.84 CRHR1 (0.41) CRHR1HAVCR2EIF2AK3PRKCIADORA1
SCHEMBL23057814 0.84 DYRK1A (0.41) CRHR1EIF2AK3ALDH1A1DYRK1ASRC
SCHEMBL23057766 0.83 CRHR1 (0.36) CRHR1HAVCR2EIF2AK3PRKCIGAA
SCHEMBL20351612 0.81 MET (0.41) HAVCR2EIF2AK3ADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356186-A1 PERK INHIBITING PYRROLOPYRIMIDINE COMPOUNDS HIBERCELL, INC. 2022-11-10 US disclosed
EP-4021908-A1 PERK INHIBITING PYRROLOPYRIMIDINE COMPOUNDS Hibercell, Inc. (US) 2022-07-06 EP disclosed
CN-114710956-A PERK-INHIBITING PYRROLOPYRIMIDINE COMPOUNDS 希伯塞尔股份有限公司 2022-07-05 CN 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-20220356186-A1 PERK INHIBITING PYRROLOPYRIMIDINE COMPOUNDS EEF2K, ATF4, MAPKAPK2 CRHR1 2317/4885HAVCR2 1527/4885EIF2AK3 96/4885

“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.