SCHEMBL17840794

SCHEMBL17840794

O=C(CNCCN1CCOCC1)Nc1cc(-c2[nH]c3cc(Cl)cnc3c2-c2ccc(F)cn2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.51
TGFBR2 P37173 6/20 0.51
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK14 Q16539 3/20 0.38
MDM2 Q00987 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
RIPK3 Q9Y572 2/20 0.37
EIF2AK2 P19525 1/20 0.36
AKT1 P31749 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL17840918 0.96 TGFBR1 (0.49) TGFBR1TGFBR2CYP3A4CYP2D6CYP2C9
SCHEMBL17840612 0.90 TGFBR1 (0.54) TGFBR1TGFBR2AKT1
SCHEMBL17840923 0.88 TGFBR1 (0.56) TGFBR1TGFBR2MAPK14
SCHEMBL17840854 0.84 TGFBR1 (0.61) TGFBR1TGFBR2MAPK14
SCHEMBL17840667 0.83 TGFBR1 (0.53) TGFBR1TGFBR2MAPK14KDM4EALDH1A1
SCHEMBL17840908 0.82 TGFBR1 (0.61) TGFBR1TGFBR2MAPK14
SCHEMBL17840657 0.82 TGFBR1 (0.56) TGFBR1TGFBR2
SCHEMBL17840881 0.82 TGFBR1 (0.55) TGFBR1TGFBR2MAPK14
SCHEMBL17863800 0.81 TGFBR1 (0.55) TGFBR1TGFBR2KDM4EALDH1A1MAPT
SCHEMBL17840628 0.80 TGFBR1 (0.53) TGFBR1TGFBR2MAPK14

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 1/4885CYP3A4 4824/4885

“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.