SCHEMBL15933201

SCHEMBL15933201

CC(=O)c1cnn(-c2nccc(Cl)c2F)c1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MALT1 Q9UDY8 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 6/20 0.37
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAMPT P43490 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL14692551 0.90 NOTUM (0.40) MAPK1MALT1KDM4ERAB9ANPC1
SCHEMBL15933269 0.86 MAPK1 (0.51) MAPK1MAPTHPGDKDM4EALDH1A1
SCHEMBL15930152 0.86 MAPK1 (0.38) MAPK1MALT1ALDH1A1RAB9ANPC1
SCHEMBL18945030 0.86 MAPK1 (0.38) MAPK1HPGDMALT1ALDH1A1RAB9A
SCHEMBL14692451 0.83 MAPK1 (0.36) MAPK1MAPTHPGDMALT1ALDH1A1
SCHEMBL7233447 0.81 MAPK1 (0.55) MAPK1MAPTHPGDMALT1KDM4E
SCHEMBL15933249 0.77 MAPK1 (0.54) MAPK1MAPTHPGDMALT1ALDH1A1
SCHEMBL14692559 0.76 MAPK1 (0.41) MAPK1MAPTKDM4EALDH1A1TDP1
SCHEMBL15933288 0.73 MAPK1 (0.58) MAPK1MAPTHPGDMALT1KDM4E
SCHEMBL7230024 0.73 MAPK1 (0.55) MAPK1MAPTHPGDMALT1KDM4E

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 8 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-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 (5 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 540/4885MAPT 496/4885HPGD 2470/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 MAPK1 672/4885MAPT 360/4885HPGD 2055/4885
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885MAPT 496/4885HPGD 2470/4885
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885MAPT 496/4885HPGD 2470/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885MAPT 496/4885HPGD 2470/4885

“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.