SCHEMBL22835882

SCHEMBL22835882

CCn1cc2ncc(Cl)nc2n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE4D Q08499 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL30328357 0.78 ADORA3 (0.48) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL26126129 0.72 ADORA2A (0.44) ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL29586047 0.72 COMT (0.35) ALDH1A1ADORA3ADORA2AADORA1NPC1
SCHEMBL2596743 0.67 TGFBR1 (0.39) NPC1RAB9ATP53
SCHEMBL25164070 0.64 ADORA3 (0.48) ALDH1A1ADORA3ADORA2AADORA1NPC1
SCHEMBL13440864 0.63
SCHEMBL18359322 0.63 TP53 (0.38) ADORA3TP53
SCHEMBL29489066 0.63 ALDH1A1 (0.39) ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL25098948 0.63 ALDH1A1 (0.39) ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL12725097 0.63 ENPP1 (0.36) ALDH1A1PDE4DNPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. 2023-03-30 US disclosed
EP-3990443-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, Inc. (US) 2022-05-04 EP disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 WO disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 WO 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-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF PDGFRB, PDGFRA, FGFR1 ALDH1A1 2831/4885ADORA3 583/4885ADORA2A 1329/4885

“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.