SCHEMBL17840628

SCHEMBL17840628

O=C(CN1CCC(O)CC1)Nc1cc(-c2[nH]c3cc(Cl)cnc3c2-c2ccc(F)cn2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.53
TGFBR2 P37173 7/20 0.53
GSK3B P49841 3/20 0.41
DYRK1A Q13627 2/20 0.41
WNT1 P04628 1/20 0.41
PARP1 P09874 3/20 0.39
POLB P06746 1/20 0.39
BUB1 O43683 1/20 0.38
MAPK14 Q16539 2/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL17840595 0.91 TGFBR1 (0.53) TGFBR1TGFBR2GSK3BPARP1POLB
SCHEMBL17840881 0.91 TGFBR1 (0.55) TGFBR1TGFBR2GSK3BDYRK1APARP1
SCHEMBL17840612 0.90 TGFBR1 (0.54) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840657 0.90 TGFBR1 (0.56) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840667 0.89 TGFBR1 (0.53) TGFBR1TGFBR2PARP1POLBBUB1
SCHEMBL17840606 0.88 TGFBR1 (0.57) TGFBR1TGFBR2POLB
SCHEMBL17840854 0.85 TGFBR1 (0.61) TGFBR1TGFBR2MAPK14
SCHEMBL17840908 0.85 TGFBR1 (0.61) TGFBR1TGFBR2MAPK14
SCHEMBL17840923 0.82 TGFBR1 (0.56) TGFBR1TGFBR2MAPK14
SCHEMBL17840574 0.81 TGFBR1 (0.78) TGFBR1TGFBR2GSK3BBUB1MAPK14

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 1/4885GSK3B 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.