SCHEMBL1368115

SCHEMBL1368115

Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2[nH]cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
PKM P14618 2/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 5/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
NAMPT P43490 1/20 0.43
XDH P47989 1/20 0.43
ALOX15 P16050 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 2/20 0.43
RORC P51449 3/20 0.42

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
SCHEMBL1368423 0.83 KIT (0.53) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL1367088 0.82 BLK (0.45) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3993077 0.80 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2NPC1RAB9AHTT
SCHEMBL2947699 0.79 SMN1; SMN2 (0.50) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL2945351 0.79 LCK (0.52) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL1136394 0.79 MAPT (0.47) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL1367567 0.78 NPC1 (0.52) KMT2ASMN1; SMN2NPC1RAB9APPARG
SCHEMBL28029603 0.78 ABL1 (0.55) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL17420233 0.78 ABL1 (0.55) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL3934918 0.77 CYP2C9 (0.56) KMT2AMEN1SMN1; SMN2MAPTNPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
CN-101511828-A Heteroaryl derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA KMT2A 1755/4885MEN1 2591/4885SMN1; SMN2 4275/4885

“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.