SCHEMBL25895355

SCHEMBL25895355

COCc1cc(C)ccc1N=C=NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23342369 0.84 HTR2A (0.37) HSD17B10
SCHEMBL23341665 0.80 PDK2 (0.32)
SCHEMBL25895338 0.76 NPC1 (0.41) KDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL25895328 0.68 HTR3E (0.35) MAPK1ALDH1A1
SCHEMBL8256542 0.67 KDM4E (0.41) KDM4EMAPK1NPSR1HSD17B10ALDH1A1
SCHEMBL26137718 0.67 TRPA1 (0.47) KDM4EALDH1A1
SCHEMBL25912981 0.67 IDO1 (0.38) HSD17B10
SCHEMBL791955 0.66 TAAR1 (0.52) KDM4EMAPK1NPSR1HSD17B10ALDH1A1
SCHEMBL25895358 0.65 ACHE (0.41) KDM4EMAPK1NPSR1ALDH1A1
SCHEMBL23342611 0.65 CYP1B1 (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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 (2 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS KDM4E 3344/4885MAPK1 162/4885NPSR1 4065/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR KDM4E 2157/4885MAPK1 769/4885NPSR1 4589/4885

“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.