SCHEMBL10170376

SCHEMBL10170376

Nc1ncc(Br)cc1N=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
BLM P54132 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.41
DYRK1A Q13627 4/20 0.39
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 2/20 0.37
AURKA O14965 2/20 0.35
DAPK3 O43293 2/20 0.35
JAK2 O60674 2/20 0.35
MAP4K4 O95819 2/20 0.35
PAK4 O96013 2/20 0.35
ABL1 P00519 2/20 0.35
RET P07949 2/20 0.35
FGFR1 P11362 2/20 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
SCHEMBL24576561 0.79 KMT2A (0.54) KMT2AHTTMEN1MAPTPOLB
SCHEMBL27313221 0.77 PLAU (0.39) KMT2AHTTMEN1MAPTPOLB
SCHEMBL12238975 0.75 HTT (0.37) KMT2AHTTMEN1MAPTPOLB
SCHEMBL10170378 0.75 HTT (0.39) KMT2AHTTMEN1MAPTPOLB
SCHEMBL24446510 0.75 HTT (0.37) KMT2AHTTMEN1MAPTPOLB
SCHEMBL12730647 0.75 IDO1 (0.39) KMT2AHTTMEN1MAPTPOLB
SCHEMBL29380317 0.72 KMT2A (1.00) KMT2AHTTMEN1MAPTPOLB
SCHEMBL3060521 0.72 KMT2A (1.00) KMT2AHTTMEN1MAPTPOLB
SCHEMBL4145352 0.72 KMT2A (1.00) KMT2AHTTMEN1MAPTPOLB
SCHEMBL18525734 0.71 HTT (0.43) KMT2AHTTMEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-20120035171-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE ASTEX THERAPEUTICS LIMITED (GB) 2012-02-09 US disclosed
US-20120035152-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2012-02-09 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20100286113-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2010-11-11 US disclosed
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 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 (5 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-20100286113-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, BTK KMT2A 1067/4885HTT 3302/4885MEN1 1645/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885HTT 1821/4885MEN1 4681/4885
US-20100093718-A1 Compounds FGFR1, FGFR2, PDGFRB KMT2A 2609/4885HTT 1482/4885MEN1 1410/4885
US-20120035171-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE FGFR1, FGFR2, FGFR3 KMT2A 1836/4885HTT 2055/4885MEN1 2900/4885
US-20120035152-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, BTK KMT2A 1067/4885HTT 3302/4885MEN1 1645/4885

“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.