SCHEMBL3855008

SCHEMBL3855008

c1ccc(-c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.46
PTGS2 P35354 4/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
FRK P42685 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3B P49841 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MEN1 O00255 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
SCHEMBL3855448 0.81 NSD3 (0.38) NSD3PTGS2LMNATSHRCYP11B1
SCHEMBL15458774 0.80 MAPK13 (0.60) NSD3PTGS2LMNATSHRMAPK13
SCHEMBL5574792 0.72 NSD3 (0.55) NSD3PTGS2LMNATSHRPRKD3
SCHEMBL6741673 0.71 LMNA (0.36) PTGS2LMNAPRKD3MAP4K4FRK
SCHEMBL2794301 0.70 HTT (0.48) LMNACYP11B1CYP11B2MEN1HPGD
SCHEMBL9842956 0.69 NSD3 (0.51) NSD3PTGS2LMNATSHRPRKD3
SCHEMBL1009513 0.69 NSD3 (0.83) NSD3PTGS2LMNATSHRMAPK14
SCHEMBL4869680 0.69 CYP2A6 (0.45) MEN1KMT2ASMN1; SMN2L3MBTL1KDR
SCHEMBL29874438 0.68 NSD3 (0.80) NSD3PTGS2LMNATSHRMAPK14
SCHEMBL5720398 0.68 FAAH (0.56) NSD3PTGS2LMNATSHRMAPK13

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-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 NSD3 2186/4885PTGS2 2494/4885LMNA 729/4885

“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.