SCHEMBL3848312

SCHEMBL3848312

c1ccc(-c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
EGFR P00533 1/20 0.33
HPGDS O60760 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KCNN4 O15554 1/20 0.32
KCNA3 P22001 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL26326405 0.84 CYP11B1 (0.33) CYP11B1CYP11B2SMN1; SMN2HDAC1HDAC6
SCHEMBL26326310 0.78
SCHEMBL9086670 0.77 NPC1 (0.38) RAB9ANPC1MAPK1SMN1; SMN2NFKB1
SCHEMBL2877298 0.77 CYP11B1 (0.40) CYP11B1CYP11B2RAB9AMAPK1SMN1; SMN2
SCHEMBL23116712 0.76
SCHEMBL29666388 0.76
SCHEMBL23116709 0.76 XPO1 (0.36) HDAC1HDAC6LMNAKMT2ANPSR1
SCHEMBL29666427 0.76 XPO1 (0.36) HDAC1HDAC6LMNAKMT2ANPSR1
SCHEMBL8387437 0.76 CYP11B1 (0.39) CYP11B1CYP11B2RAB9AMAPK1SMN1; SMN2
SCHEMBL8388038 0.76 CYP11B1 (0.39) CYP11B1CYP11B2RAB9AMAPK1SMN1; SMN2

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 3 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
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 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 (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 CYP11B1 2110/4885CYP11B2 2392/4885RAB9A 1180/4885

“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.