SCHEMBL24827632

SCHEMBL24827632

COc1nc(-c2ccccn2)nc2c(-c3cccc(O)c3)csc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.45
CYP19A1 P11511 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRM5 P41594 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MBD2 Q9UBB5 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
FFAR1 O14842 3/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL24827644 0.85 GRM5 (0.48) GRM5FFAR1ALDH1A1MEN1KMT2A
SCHEMBL20665853 0.85 KMT2A (0.49) NPC1RAB9ASMN1; SMN2GRM5PKM
SCHEMBL20665936 0.84 TRPM8 (0.45) CYP19A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21740989 0.84 TRPM8 (0.40) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL20665723 0.82 SMN1; SMN2 (0.52) CYP19A1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL20665974 0.81 GAA (0.41) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL20665864 0.80 TRPM8 (0.40) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL26158242 0.78 GRM5 (0.49) CYP19A1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL23467941 0.77 TRPM8 (0.45) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL8145981 0.77 L3MBTL1 (0.45) NPC1RAB9ASMN1; SMN2LMNAHPGD

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-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 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-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS RAF1 20/4885CYP19A1 4615/4885NPC1 2606/4885

“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.