SCHEMBL25895336

SCHEMBL25895336

COc1cccc(C)c1N=C=NC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP3A4 P08684 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL23341672 0.90 CA1 (0.38) CA1CA2CA12CA4CA7
SCHEMBL28438640 0.78 CYP3A4 (0.33) CYP3A4TP53MAPK1MEN1KMT2A
SCHEMBL10614861 0.76 GABRA1 (0.44) CA1CA2CA12CA4CA7
SCHEMBL9358244 0.76 GABRA1 (0.43) CA1CA2CA12CA4CA7
SCHEMBL23341671 0.75 KMT2A (0.42) CA1CA2CA12CA4CA7
SCHEMBL14892852 0.74 CA1 (0.48) CA1CA2CA12CA4CA7
SCHEMBL25895329 0.74 MIF (0.31) CA1CA2CA12CA4CA7
SCHEMBL18414198 0.70 CA1 (0.42) CA1CA2CA12CA4CA7
SCHEMBL13862212 0.70 CA12 (0.42) CA1CA2CA12CA4CA7
SCHEMBL23342609 0.69 CA12 (0.34) CA1CA2CA12CA4CA7

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 CA1 4562/4885CA2 3772/4885CA12 3895/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR CA1 4070/4885CA2 3441/4885CA12 4624/4885

“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.