Sugi Predict

Sugi Predict / Compounds / SCHEMBL2139061

SCHEMBL2139061

SCHEMBL2139061

Cc1cccn2cc(C(=O)Nc3nc4cc(-c5cccc(C#N)c5)ccc4[nH]3)nc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ GRM5 P41594 1/20 0.42
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PIN1 Q13526 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL2135751 0.89 ABL1 (0.43) ABL1IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL2134001 0.89 NPC1 (0.45) ABL1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL2135031 0.87 NPC1 (0.47) ABL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2133800 0.85 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL10225451 0.85 NPC1 (0.39) ABL1IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL2135866 0.85 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2133207 0.84 NPC1 (0.38) ABL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2135220 0.83 NPC1 (0.39) ABL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2138344 0.83 MTOR (0.41) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2135025 0.83 MTOR (0.43) ABL1IRAK4NPC1RAB9ASMN1; SMN2

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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 — — US claimed
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 — — US disclosed
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 — — US disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 — — WO 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP ABL1 586/4885IRAK4 3079/4885GRM5 3072/4885

“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.