SCHEMBL15933288

SCHEMBL15933288

CC(=O)c1cnn(-c2cc(Cl)ccn2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.49
KDM5A P29375 4/20 0.44
KDM4C Q9H3R0 4/20 0.44
KDM5B Q9UGL1 4/20 0.44
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38

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
SCHEMBL14692504 0.89 KDM5A (0.50) MAPK1SMN1; SMN2KDM5AKDM4CKDM5B
SCHEMBL15930153 0.85 MAPK1 (0.42) MAPK1SMN1; SMN2KDM5AKDM4CKDM5B
SCHEMBL14692303 0.82 KDM5A (0.40) MAPK1SMN1; SMN2KDM5AKDM4CKDM5B
SCHEMBL20209718 0.81 KDM5A (0.39) MAPK1SMN1; SMN2KDM5AKDM4CKDM5B
SCHEMBL7239927 0.80 MAPK1 (0.57) MAPK1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1574919 0.78 MAPK1 (0.63) MAPK1SMN1; SMN2KDM5AKDM4CKDM5B
SCHEMBL6345488 0.77 MAPK1 (0.70) MAPK1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL7747571 0.77 CLK1 (0.53) MAPK1SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL7230954 0.77 MAPK1 (0.53) MAPK1SMN1; SMN2KDM5AKDM4CKDM5B
SCHEMBL14692511 0.76 KDM4C (0.40) MAPK1KDM5AKDM4CKDM5BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK1 540/4885SMN1; SMN2 3794/4885KDM5A 1321/4885
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885SMN1; SMN2 3794/4885KDM5A 1321/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885SMN1; SMN2 3794/4885KDM5A 1321/4885

“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.