SCHEMBL15933282

SCHEMBL15933282

CC(=O)c1cnn(-c2cccc(Cl)c2Cl)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.49
SCN5A Q14524 1/20 0.49
FGFR1 P11362 3/20 0.47
SRC P12931 3/20 0.47
FGFR2 P21802 3/20 0.47
FGFR4 P22455 3/20 0.47
FGFR3 P22607 3/20 0.47
KDR P35968 3/20 0.47
MAPK14 Q16539 3/20 0.47
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.42
RIPK2 O43353 1/20 0.41
MAPT P10636 1/20 0.40
NOTUM Q6P988 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL14692428 0.87 FGFR1 (0.51) SCN9ASCN5AFGFR1SRCFGFR2
SCHEMBL8047299 0.87 RIPK2 (0.56) SCN9ASCN5AFGFR1SRCFGFR2
SCHEMBL15933194 0.86 MAPK14 (0.48) SCN9ASCN5AFGFR1SRCFGFR2
SCHEMBL15930138 0.85 FGFR1 (0.45) SCN9ASCN5AFGFR1SRCFGFR2
SCHEMBL14692488 0.82 HTT (0.66) HTTLMNAMAPTTP53HPGD
SCHEMBL17365307 0.79 MAPK14 (0.58) SCN9ASCN5AFGFR1SRCFGFR2
SCHEMBL12000959 0.77 MAPK14 (0.71) SCN9ASCN5AMAPK14POLBMAPK1
SCHEMBL17365306 0.77 MAPK14 (0.55) SCN9ASCN5AFGFR1SRCFGFR2
SCHEMBL15933265 0.76 HTT (0.69) FGFR1FGFR2FGFR3MAPK14HTT
SCHEMBL3374482 0.75 FGFR1 (0.62) SCN9ASCN5AFGFR1SRCFGFR2

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
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-08 US disclosed
EP-2739628-B1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9611274-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-04 US disclosed
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9221818-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 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 (3 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-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 SCN9A 1671/4885SCN5A 1958/4885FGFR1 360/4885
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 SCN9A 1671/4885SCN5A 1958/4885FGFR1 360/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 SCN9A 1671/4885SCN5A 1958/4885FGFR1 360/4885

“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.