SCHEMBL168930

SCHEMBL168930

CCOc1cn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
AURKA O14965 1/20 0.45
HTT P42858 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL168219 0.86 KEAP1 (0.51) MAPTAURKAHTTL3MBTL1SMN1; SMN2
SCHEMBL176089 0.83 NPC1 (0.56) MAPTL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL168289 0.75 DGAT1 (0.45) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL167859 0.74 RXRA (0.43) AURKAALDH1A1LMNARAB9ANPC1
SCHEMBL6487241 0.71 NPSR1 (0.54) MAPTHTTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL176297 0.71 NPC1 (0.57) MAPTL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL11763644 0.71 AURKA (0.53) MAPTAURKASMN1; SMN2LMNARAB9A
SCHEMBL168302 0.70 NPC1 (0.56) MAPTL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL168121 0.69 NPC1 (0.73) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL22660904 0.69 MAPT (0.57) MAPTHTTSMN1; SMN2ALDH1A1LMNA

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-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
EP-2609091-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2014-11-26 EP disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 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-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 MAPT 2425/4885AURKA 203/4885HTT 3791/4885

“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.