SCHEMBL31428664

SCHEMBL31428664

Cn1cc(-c2ncnc3ccccc23)cn1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.65
ADORA2A P29274 1/20 0.57
BRD4 O60885 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
PRMT5 O14744 1/20 0.46
EPHX2 P34913 1/20 0.46
KIT P10721 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
GRM2 Q14416 1/20 0.44
AXL P30530 4/20 0.44
EGFR P00533 2/20 0.42
ERBB2 P04626 2/20 0.42
ERBB4 Q15303 2/20 0.42
PIM1 P11309 2/20 0.42
AURKB Q96GD4 1/20 0.42
ACVR1 Q04771 1/20 0.41

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
SCHEMBL3852531 0.80 AXL (0.58) GRM4SIGMAR1KITAXLEGFR
SCHEMBL31428805 0.77 GRM2 (0.49) GRM4ADORA2ABRD4EPHX2GRM2
SCHEMBL24975833 0.77 GRM2 (0.49) GRM4ADORA2ABRD4EPHX2GRM2
SCHEMBL17673264 0.75 AXL (0.47) BRD4EPHX2HRH4AXLPIM1
SCHEMBL17942667 0.75 BRD4 (0.47) BRD4PRMT5GRM2AXLPIM1
SCHEMBL29848857 0.75 AXL (0.47) BRD4EPHX2HRH4AXLPIM1
SCHEMBL355762 0.75 GRM4 (0.65) GRM4BRD4GRM2AURKBACVR1
SCHEMBL31428975 0.75 GRM4 (0.65) GRM4BRD4GRM2AURKBACVR1
SCHEMBL31469381 0.74 AURKB (0.49) BRD4KITAXLAURKB
SCHEMBL31469361 0.74 AURKB (0.49) KITAXLAURKB

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS GRM4 4341/4885ADORA2A 3904/4885BRD4 522/4885

“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.