SCHEMBL31428995

SCHEMBL31428995

CC(=O)N1C(=Cc2cc(-c3ccnc4ccccc34)c3ccccc3n2)C(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
PTK2B Q14289 1/20 0.41
CES1 P23141 1/20 0.41
ACVR1 Q04771 7/20 0.36
IDO1 P14902 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
NTRK1 P04629 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL31428974 0.94 MAPT (0.41) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL31428880 0.87 ALDH1A1 (0.43) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL30163673 0.86 PDCD1 (0.40) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL31428415 0.84 PDCD1 (0.41) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL31429054 0.83 LRRK2 (0.34) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL31428878 0.82 MAPT (0.44) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL30163577 0.81 GRM2 (0.52) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL31428638 0.78 ALDH1A1 (0.44) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL31428874 0.78 ALDH1A1 (0.41) MAPTSMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL31428670 0.77 MAPT (0.54) MAPTSMN1; SMN2HTTALDH1A1MAPK1

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 MAPT 4513/4885SMN1; SMN2 4832/4885HTT 4442/4885

“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.