SCHEMBL15933197

SCHEMBL15933197

CC(=O)c1cn(-c2c(F)ccc(Cl)c2F)nn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NOTUM Q6P988 7/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KLKB1 P03952 1/20 0.38
ESRRA P11474 1/20 0.38
LMNA P02545 1/20 0.35
DDT P30046 1/20 0.35
KCNMA1 Q12791 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL14692497 0.87 NOTUM (0.52) KMT2AALDH1A1KDM4EMAPTNOTUM
SCHEMBL18933508 0.85 KMT2A (0.42) KMT2AALDH1A1KDM4EMAPTNOTUM
SCHEMBL14706103 0.85 KMT2A (0.42) KMT2AALDH1A1KDM4EMAPTNOTUM
SCHEMBL20209713 0.81 KMT2A (0.39) KMT2AALDH1A1KDM4EMAPTNOTUM
SCHEMBL15933233 0.78 NOTUM (0.39) KMT2AALDH1A1KDM4EMAPTNOTUM
SCHEMBL15933192 0.78 RXRA (0.48) KLKB1
SCHEMBL18933509 0.75 P2RX7 (0.45) KMT2AALDH1A1NOTUMRAB9ASMN1; SMN2
SCHEMBL17570893 0.75 EGLN1 (0.38) MAPTNPC1RAB9AKLKB1
SCHEMBL15933198 0.71 PTGS2 (0.58) KMT2AALDH1A1MAPTSMN1; SMN2CA12
SCHEMBL20263291 0.71 NOTUM (0.55) KMT2ANOTUMSMN1; SMN2CA2CA9

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 9 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-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 KMT2A 1182/4885ALDH1A1 4457/4885KDM4E 824/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 KMT2A 1029/4885ALDH1A1 4479/4885KDM4E 801/4885
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 KMT2A 1182/4885ALDH1A1 4457/4885KDM4E 824/4885
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 KMT2A 1182/4885ALDH1A1 4457/4885KDM4E 824/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 KMT2A 1182/4885ALDH1A1 4457/4885KDM4E 824/4885

“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.