SCHEMBL785958

SCHEMBL785958

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3ccccc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
JAK2 O60674 8/20 0.38
JAK1 P23458 8/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LCK P06239 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
KCNH2 Q12809 1/20 0.35
SPR P35270 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
SCHEMBL785369 0.94 F10 (0.38) F10JAK2JAK1TLR9TLR8
SCHEMBL785474 0.92 NPC1 (0.46) F10JAK2JAK1TLR9TLR8
SCHEMBL784619 0.92 F10 (0.43) F10JAK2JAK1TLR9TLR8
SCHEMBL785876 0.91 F10 (0.41) F10JAK2JAK1TLR9TLR8
SCHEMBL785441 0.90 LCK (0.38) F10JAK2JAK1LCKNPC1
SCHEMBL784125 0.89 F10 (0.41) F10JAK2JAK1TLR9TLR8
SCHEMBL784621 0.89 UBE2M (0.37) F10TLR9TLR8TLR7
SCHEMBL785323 0.88 F10 (0.38) F10JAK2JAK1TLR9TLR8
SCHEMBL785542 0.87 HPGD (0.44) F10JAK2JAK1TLR9TLR8
SCHEMBL785210 0.87 USP30 (0.44) F10JAK2JAK1TLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 F10 524/4885JAK2 1298/4885JAK1 1517/4885

“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.