SCHEMBL3027232

SCHEMBL3027232

Cc1cc2ncc(I)n2nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 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
SCHEMBL19578086 0.81 NPC1 (0.39) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL22121782 0.79 NPC1 (0.34) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL137744 0.79 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL25311795 0.76 NPC1 (0.38) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL16265142 0.76 NPC1 (0.35) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL477179 0.75 KDM4E (0.36) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL25310605 0.73 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL19554501 0.73 NPC1 (0.43) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL1202660 0.69 GAA (0.43)
SCHEMBL25311635 0.69 MAPT (0.39) NPC1RAB9AHPGDSMN1; SMN2TP53

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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN NPC1 4572/4885RAB9A 2293/4885HPGD 3873/4885

“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.