SCHEMBL17840667

SCHEMBL17840667

O=C(CN1CCN(CCO)CC1)Nc1cc(-c2[nH]c3cc(Cl)cnc3c2-c2ccc(F)cn2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.53
TGFBR2 P37173 7/20 0.53
POLB P06746 1/20 0.41
MAPK14 Q16539 2/20 0.40
BUB1 O43683 1/20 0.40
EGFR P00533 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRKD1 Q15139 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL17840657 0.93 TGFBR1 (0.56) TGFBR1TGFBR2POLB
SCHEMBL17863801 0.91 TGFBR1 (0.54) TGFBR1TGFBR2BUB1KDM4EHPGD
SCHEMBL17840881 0.91 TGFBR1 (0.55) TGFBR1TGFBR2POLBMAPK14BUB1
SCHEMBL17840606 0.90 TGFBR1 (0.57) TGFBR1TGFBR2POLBKDM4EALDH1A1
SCHEMBL17840612 0.90 TGFBR1 (0.54) TGFBR1TGFBR2
SCHEMBL17840628 0.89 TGFBR1 (0.53) TGFBR1TGFBR2POLBMAPK14BUB1
SCHEMBL17840954 0.89 TGFBR1 (0.56) TGFBR1TGFBR2BUB1KDM4EHPGD
SCHEMBL17840908 0.87 TGFBR1 (0.61) TGFBR1TGFBR2MAPK14PRKD1
SCHEMBL17840595 0.86 TGFBR1 (0.53) TGFBR1TGFBR2POLBMAPK14BUB1
SCHEMBL17840923 0.85 TGFBR1 (0.56) TGFBR1TGFBR2MAPK14PRKD1

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 1/4885POLB 2216/4885

“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.