SCHEMBL17840560

SCHEMBL17840560

CC(=O)Nc1cc(-c2cc3nc(Br)cc(C(C)=O)c3[nH]2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 13/20 0.45
MAPK14 Q16539 5/20 0.41
GSK3B P49841 3/20 0.41
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 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
SCHEMBL17840572 0.91 PIK3C3 (0.43) PIK3C3MAPK14GSK3B
SCHEMBL17840792 0.87 GSK3B (0.46) PIK3C3MAPK14GSK3B
SCHEMBL17863750 0.87 PIK3C3 (0.45) PIK3C3MAPK14GSK3B
SCHEMBL17863806 0.85 KDM5A (0.51) PIK3C3MAPK14GSK3BKDM4AKDM5A
SCHEMBL17840790 0.84 PIK3C3 (0.43) PIK3C3MAPK14GSK3B
SCHEMBL17840818 0.80 KDM5A (0.46) PIK3C3MAPK14GSK3BKDM4AKDM5A
SCHEMBL17840578 0.78 PIK3C3 (0.50) PIK3C3MAPK14GSK3B
SCHEMBL17840719 0.78 PIK3C3 (0.43) PIK3C3MAPK14GSK3B
SCHEMBL17840665 0.78 KDM5A (0.48) PIK3C3KDM4AKDM5AKDM4CKDM5B
SCHEMBL25209860 0.75 CCNB2 (0.51) PIK3C3GSK3B

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
EP-3237415-A1 TGF RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2017-11-01 EP disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 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 (1 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-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 PIK3C3 2608/4885MAPK14 2316/4885GSK3B 33/4885

“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.