SCHEMBL2748855

SCHEMBL2748855

Nc1ncc(-c2cnc(N3CCOCC3)s2)cc1-c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ILK Q13418 2/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
GHSR Q92847 2/20 0.41
HCAR1 Q9BXC0 2/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
FYN P06241 1/20 0.40

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
Hydrochloric Acid SCHEMBL2748604 0.87 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL2749721 0.87 ILK (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2749654 0.80 ATR (0.49) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2749415 0.76 KCNH2 (0.59) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2750511 0.76 ILK (0.52) ILKGAALRRK2USP2
SCHEMBL2749364 0.73 MET (0.67)
SCHEMBL2747968 0.73 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3788153 0.73 ILK (0.49) NPC1RAB9AMEN1KMT2AILK
SCHEMBL2751139 0.73 LMNA (0.46) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2748024 0.72 MET (0.49) NPC1RAB9AMAPTALDH1A1PKM

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 4 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
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO 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 1549/4885SMN1; SMN2 763/4885

“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.