SCHEMBL17840880

SCHEMBL17840880

CC(=O)Nc1cc(-c2cc3nccc(CO)c3[nH]2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 11/20 0.46
TGFBR1 P36897 5/20 0.41
GSK3B P49841 3/20 0.41
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
MAPK14 Q16539 2/20 0.41
TGFBR2 P37173 4/20 0.40

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
SCHEMBL17863806 0.83 KDM5A (0.51) PIK3C3GSK3BKDM4AKDM5AKDM4C
SCHEMBL17840856 0.81 PIK3C3 (0.45) PIK3C3GSK3BKDM4AKDM5AKDM4C
SCHEMBL17840665 0.81 KDM5A (0.48) PIK3C3TGFBR1KDM4AKDM5AKDM4C
SCHEMBL25209860 0.80 CCNB2 (0.51) PIK3C3GSK3B
SCHEMBL17840755 0.77 TGFBR1 (0.53) PIK3C3TGFBR1TGFBR2
SCHEMBL17840773 0.76 TGFBR1 (0.48) PIK3C3TGFBR1GSK3BMAPK14TGFBR2
SCHEMBL17840560 0.74 PIK3C3 (0.45) PIK3C3GSK3BKDM4AKDM5AKDM4C
SCHEMBL17863750 0.74 PIK3C3 (0.45) PIK3C3TGFBR1GSK3BMAPK14TGFBR2
SCHEMBL17840818 0.73 KDM5A (0.46) PIK3C3TGFBR1GSK3BKDM4AKDM5A
SCHEMBL30365606 0.72 PIK3C3 (0.48) PIK3C3TGFBR1GSK3BMAPK14TGFBR2

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 2608/4885TGFBR1 2/4885GSK3B 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.