SCHEMBL20209718

SCHEMBL20209718

CCC(C)C(=O)c1cnn(-c2cc(Cl)ccn2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 10/20 0.39
KDM4C Q9H3R0 10/20 0.39
KDM5B Q9UGL1 10/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
KDM4A O75164 3/20 0.37
KDM2B Q8NHM5 3/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KDM6B O15054 1/20 0.36
KDM4B O94953 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL15930153 0.88 MAPK1 (0.42) KDM5AKDM4CKDM5BMAPK1HTT
SCHEMBL15933288 0.81 MAPK1 (0.58) KDM5AKDM4CKDM5BMAPK1HTT
SCHEMBL14692504 0.81 KDM5A (0.50) KDM5AKDM4CKDM5BMAPK1KDM4A
SCHEMBL14692303 0.75 KDM5A (0.40) KDM5AKDM4CKDM5BMAPK1HTT
SCHEMBL15180439 0.71 KDM5A (0.52) KDM5AKDM4CKDM5BMAPK1KDM4A
SCHEMBL20209830 0.70 HTT (0.56) MAPK1HTTKMT2ARAB9ANPC1
SCHEMBL14692511 0.70 KDM4C (0.40) KDM5AKDM4CKDM5BMAPK1KDM4A
SCHEMBL15930155 0.68 LMNA (0.45) KDM5AKDM4CKDM5BKDM4AKDM2B
SCHEMBL14706023 0.68 KMT2A (0.57) MAPK1HTTKMT2ARAB9ANPC1
SCHEMBL15930149 0.66 MAPK1 (0.42) MAPK1HTTKMT2AKDM4ERAB9A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KDM5A 1321/4885KDM4C 1746/4885KDM5B 1380/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 KDM5A 1269/4885KDM4C 1789/4885KDM5B 1224/4885

“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.