SCHEMBL17840942

SCHEMBL17840942

Nc1cc(-c2[nH]c3cc(Cl)cnc3c2-c2ccc(F)cn2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.48
TGFBR2 P37173 3/20 0.48
MET P08581 1/20 0.46
DYRK1A Q13627 2/20 0.39
MAPK14 Q16539 4/20 0.38
GRM5 P41594 2/20 0.36
MAPT P10636 1/20 0.36
CSNK1D P48730 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34

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
SCHEMBL17863767 0.86 TGFBR1 (0.49) TGFBR1TGFBR2METDYRK1AGRM5
SCHEMBL17840673 0.84 TGFBR1 (0.58) TGFBR1TGFBR2MAPK14CSNK1DMAPK13
SCHEMBL17840693 0.84 TGFBR1 (0.52) TGFBR1TGFBR2METDYRK1AMAPK14
SCHEMBL30365685 0.82 TGFBR1 (0.51) TGFBR1TGFBR2METDYRK1AMAPK14
SCHEMBL26597857 0.82 TGFBR1 (0.51) TGFBR1TGFBR2METDYRK1AMAPK14
SCHEMBL17863798 0.81 TGFBR1 (0.42) TGFBR1TGFBR2METDYRK1AMAPT
SCHEMBL25208873 0.81 TGFBR1 (0.45) TGFBR1TGFBR2METDYRK1AMAPK14
SCHEMBL17840574 0.79 TGFBR1 (0.78) TGFBR1TGFBR2MAPK14
SCHEMBL17840708 0.78 DYRK1A (0.41) TGFBR1TGFBR2METDYRK1AMAPK14
SCHEMBL17840908 0.78 TGFBR1 (0.61) TGFBR1TGFBR2MAPK14MAPK13MAPK12

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 1/4885MET 218/4885

“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.