SCHEMBL3018231

SCHEMBL3018231

Nc1nnc(Cl)c(-c2ccccc2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
SMARCA2 P51531 2/20 0.39
SMARCA4 P51532 2/20 0.39
PBRM1 Q86U86 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKT2 P31751 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2872995 0.79 NPC1 (0.48) KDM4EMAPK1L3MBTL1MAPTTDP1
SCHEMBL28689500 0.78 CASP1 (0.43) KDM4EMAPK1MAPTKMT2AMEN1
SCHEMBL2865128 0.72 LMNA (0.41) KDM4EMAPK1L3MBTL1KMT2AHTT
SCHEMBL2872108 0.68 MAOB (0.51) L3MBTL1MAPTHTTNPSR1LMNA
SCHEMBL12495983 0.66 ADORA2A (0.52) KDM4EMAPTKMT2AHTTMEN1
SCHEMBL13385363 0.65 MEN1 (0.41) KDM4EMAPK1L3MBTL1MAPTTDP1
SCHEMBL10131893 0.65 MAOB (0.45) L3MBTL1MAPTHTTNPSR1LMNA
SCHEMBL2168449 0.65 ALDH1A1 (0.50) KDM4EMAPK1L3MBTL1MAPTTDP1
SCHEMBL115757 0.65 MAPK1 (0.52) KDM4EMAPK1L3MBTL1MAPTTDP1
SCHEMBL31602582 0.65 ALDH1A1 (0.40) KDM4EMAPK1L3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP disclosed
CN-101312977-B Fused heterocyclic compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO 2012-06-13 CN disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
CN-101312977-A Fused heterocyclic compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO (US) 2008-11-26 CN disclosed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 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 (3 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 KDM4E 853/4885MAPK1 45/4885L3MBTL1 3182/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 KDM4E 1137/4885MAPK1 64/4885L3MBTL1 3642/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 KDM4E 1158/4885MAPK1 68/4885L3MBTL1 3776/4885

“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.