SCHEMBL17840595

SCHEMBL17840595

CN(C)C1CCN(CC(=O)Nc2cc(-c3[nH]c4cc(Cl)cnc4c3-c3ccc(F)cn3)ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.53
TGFBR2 P37173 7/20 0.53
BUB1 O43683 1/20 0.38
CYP11B2 P19099 2/20 0.37
PARP1 P09874 2/20 0.37
POLB P06746 1/20 0.37
MAPK14 Q16539 3/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
GSK3B P49841 1/20 0.37
DRD4 P21917 1/20 0.36

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
SCHEMBL17840628 0.91 TGFBR1 (0.53) TGFBR1TGFBR2BUB1PARP1POLB
SCHEMBL17840657 0.89 TGFBR1 (0.56) TGFBR1TGFBR2POLBGSK3B
SCHEMBL17840881 0.88 TGFBR1 (0.55) TGFBR1TGFBR2BUB1PARP1POLB
SCHEMBL17840606 0.87 TGFBR1 (0.57) TGFBR1TGFBR2POLB
SCHEMBL17840612 0.87 TGFBR1 (0.54) TGFBR1TGFBR2GSK3B
SCHEMBL17840667 0.86 TGFBR1 (0.53) TGFBR1TGFBR2BUB1PARP1POLB
SCHEMBL17840854 0.82 TGFBR1 (0.61) TGFBR1TGFBR2MAPK14MAPK13MAPK12
SCHEMBL17840908 0.82 TGFBR1 (0.61) TGFBR1TGFBR2MAPK14MAPK13MAPK12
SCHEMBL17840574 0.81 TGFBR1 (0.78) TGFBR1TGFBR2BUB1MAPK14GSK3B
SCHEMBL17863799 0.80 TGFBR1 (0.56) TGFBR1TGFBR2POLBGSK3B

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 TGFBR1 2/4885TGFBR2 1/4885BUB1 341/4885

“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.