SCHEMBL2749049

SCHEMBL2749049

Nc1ncc(-c2ccc[nH]2)cc1-c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ILK Q13418 10/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
APP P05067 4/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
SNCA P37840 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2749585 0.81 NPC1 (0.47) NPC1RAB9AMEN1KMT2AILK
SCHEMBL2750324 0.80 ILK (0.65) NPC1RAB9AMEN1KMT2AILK
SCHEMBL2749463 0.77 MEN1 (0.45) NPC1RAB9AMEN1KMT2AILK
SCHEMBL2748643 0.76 RAB9A (0.64) NPC1RAB9AMEN1KMT2AILK
SCHEMBL3793650 0.76 MEN1 (0.47) NPC1RAB9AMEN1KMT2AILK
SCHEMBL2747422 0.76 MAP4K4 (0.58) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7675993 0.76 NPC1 (0.50) NPC1RAB9AMEN1KMT2AILK
SCHEMBL2388376 0.76 KDM4E (0.55) NPC1RAB9AMEN1KMT2AILK
SCHEMBL2749378 0.75 MAP4K4 (0.65) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2750253 0.75 FYN (0.54) NPC1RAB9AMEN1KMT2AKDM4E

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-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 NPC1 3311/4885RAB9A 1549/4885MEN1 511/4885

“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.