SCHEMBL3855448

SCHEMBL3855448

Cc1c(-c2ccccc2)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.38
LMNA P02545 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TSHR P16473 1/20 0.36
PTGS2 P35354 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE10A Q9Y233 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL4869680 0.87 CYP2A6 (0.45) KMT2AMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL4870634 0.82 MEN1 (0.40) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL3855008 0.81 NSD3 (0.46) NSD3LMNACYP11B1CYP11B2TSHR
SCHEMBL10439558 0.80 CYP1A2 (0.44) LMNACYP11B1CYP11B2TSHRPTGS2
SCHEMBL643163 0.77 CYP11B1 (0.37) LMNACYP11B1CYP11B2TSHRPTGS2
SCHEMBL7310245 0.73 CYP11B1 (0.34) CYP11B1CYP11B2KMT2AALDH1A1SMN1; SMN2
SCHEMBL312495 0.73 KDM4C (0.39) LMNACYP11B1CYP11B2KMT2AMAPT
SCHEMBL12907351 0.73 CYP3A4 (0.36) CYP11B1CYP11B2TSHRKMT2ANPSR1
SCHEMBL9585649 0.73 TAAR1 (0.35) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL846 0.73 CYP11B1 (0.34) LMNACYP11B1CYP11B2TSHRPTGS2

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 2186/4885LMNA 729/4885CYP11B1 2110/4885

“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.