SCHEMBL3170684

SCHEMBL3170684

NC(=O)c1ccccc1C[CH]c1cccc(-c2ccc3c(N)noc3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.36
F11 P03951 3/20 0.35
MAPK14 Q16539 2/20 0.35
IKBKB O14920 1/20 0.34
F10 P00742 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KIT P10721 2/20 0.32
KDR P35968 2/20 0.32
FLT3 P36888 2/20 0.32
AKR1C3 P42330 1/20 0.32
AURKB Q96GD4 2/20 0.32
PI4K2A Q9BTU6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CSF1R P07333 1/20 0.31

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
SCHEMBL4803121 0.84 F11 (0.41) MAP4K4F11MAPK14F10PI4K2A
SCHEMBL4804544 0.82 F11 (0.34) MAP4K4F11MAPK14IKBKBF10
SCHEMBL3168792 0.81 JAK2 (0.50) KITKDRFLT3AURKBCSF1R
SCHEMBL3159978 0.81 SIRT1 (0.46) IKBKBRAB9AAKR1C3KDM4EALDH1A1
SCHEMBL3173779 0.78 PARP1 (0.44) MAP4K4IKBKBKDM4EALDH1A1
SCHEMBL3165470 0.74 CHEK1 (0.40) MAP4K4
SCHEMBL3174985 0.73 PARP1 (0.45) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL3174393 0.72 CYP11B2 (0.45)
SCHEMBL3174551 0.71 PDPK1 (0.46) KITKDRFLT3AURKBCSF1R
SCHEMBL4101513 0.71 KDM4E (0.47) RAB9ANPC1AKR1C3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841504-B1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
EP-1841504-A2 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2007-10-10 EP disclosed
WO-2006076575-A2 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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 (2 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-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors TFPI, F3, F12 MAP4K4 368/4885F11 5/4885MAPK14 830/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 MAP4K4 368/4885F11 5/4885MAPK14 830/4885

“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.