SCHEMBL17840630

SCHEMBL17840630

CC(=O)Nc1cc(-c2[nH]c3c(C4CCN(C)CC4)ccnc3c2-c2cccc(C)n2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.65
TGFBR2 P37173 9/20 0.65
HTR1A P08908 3/20 0.44
HTR1D P28221 3/20 0.44
HTR1F P30939 3/20 0.44
HTR1B P28222 2/20 0.44
BUB1 O43683 3/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 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
SCHEMBL17840535 0.91 TGFBR1 (0.64) TGFBR1TGFBR2BUB1TLR9TLR8
SCHEMBL17840646 0.89 TGFBR1 (0.67) TGFBR1TGFBR2HTR1AHTR1DHTR1F
SCHEMBL17840675 0.81 TGFBR1 (0.74) TGFBR1TGFBR2BUB1TLR9TLR8
SCHEMBL17840581 0.81 TGFBR1 (0.71) TGFBR1TGFBR2BUB1
SCHEMBL17840819 0.81 TGFBR1 (0.67) TGFBR1TGFBR2BUB1
SCHEMBL17840672 0.79 TGFBR1 (1.00) TGFBR1TGFBR2BUB1
SCHEMBL17840909 0.76 TGFBR1 (0.63) TGFBR1TGFBR2BUB1
SCHEMBL17840658 0.75 TGFBR1 (0.78) TGFBR1TGFBR2BUB1
SCHEMBL17840710 0.74 TGFBR1 (0.76) TGFBR1TGFBR2BUB1
SCHEMBL17840812 0.73 TGFBR1 (0.65) TGFBR1TGFBR2BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885HTR1A 2546/4885

“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.