SCHEMBL15933249

SCHEMBL15933249

CC(=O)c1cnn(-c2cccc(Cl)c2F)c1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
NOTUM Q6P988 1/20 0.50
RIPK1 Q13546 1/20 0.47
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
HDAC9 Q9UKV0 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MALT1 Q9UDY8 1/20 0.41
KLKB1 P03952 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F11 P03951 2/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC9A1 P19634 1/20 0.39

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
SCHEMBL14692197 0.89 NOTUM (0.60) MAPK1NOTUMRIPK1HDAC9NPC1
SCHEMBL14706082 0.88 NOTUM (0.49) MAPK1NOTUMRIPK1HDAC9MALT1
SCHEMBL18933607 0.86 NOTUM (0.47) MAPK1NOTUMRIPK1HDAC9MALT1
SCHEMBL15930147 0.86 NOTUM (0.47) MAPK1NOTUMRIPK1HDAC9MALT1
SCHEMBL15933194 0.85 MAPK14 (0.48) NOTUMRIPK1HDAC9KLKB1F11
SCHEMBL14692561 0.84 HTT (0.51) NOTUMHPGDMAPTNPC1RAB9A
SCHEMBL20250801 0.81 CCR1 (0.43) MAPK1NOTUMRIPK1HDAC9KLKB1
SCHEMBL7232281 0.80 MAPK1 (0.63) MAPK1NOTUMRIPK1HPGDMAPT
SCHEMBL20278391 0.78 MAPK1 (0.54) MAPK1HPGDMAPTNPC1RAB9A
SCHEMBL18423799 0.78 NOTUM (0.52) NOTUMRIPK1MAPTHDAC9KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 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 (6 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885NOTUM 2506/4885RIPK1 773/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 MAPK1 672/4885NOTUM 2611/4885RIPK1 995/4885
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885NOTUM 2506/4885RIPK1 773/4885
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MAPK1 163/4885NOTUM 3190/4885RIPK1 322/4885
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885NOTUM 2506/4885RIPK1 773/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885NOTUM 2506/4885RIPK1 773/4885

“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.