SCHEMBL17840955

SCHEMBL17840955

CCN1CCN(CC(=O)Nc2cc(-c3[nH]c4cc(Cl)cnc4c3-c3ccc(OC)cn3)ccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.57
TGFBR2 P37173 6/20 0.51
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.38
HIF1A Q16665 1/20 0.38
KCNA5 P22460 1/20 0.38
BUB1 O43683 1/20 0.38
LCK P06239 1/20 0.38
BRAF P15056 1/20 0.38
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL17840617 0.94 TGFBR1 (0.57) TGFBR1TGFBR2ALDH1A1WNT1GSK3B
SCHEMBL17840954 0.92 TGFBR1 (0.56) TGFBR1TGFBR2KDM4EALDH1A1HPGD
SCHEMBL17840820 0.92 TGFBR1 (0.57) TGFBR1TGFBR2KDM4EALDH1A1WNT1
SCHEMBL17863802 0.90 TGFBR1 (0.56) TGFBR1TGFBR2KDM4EALDH1A1WNT1
SCHEMBL17840548 0.88 TGFBR1 (0.60) TGFBR1TGFBR2ALDH1A1WNT1GSK3B
SCHEMBL17840874 0.87 TGFBR1 (0.64) TGFBR1TGFBR2ALDH1A1GSK3BBUB1
SCHEMBL17840836 0.87 TGFBR1 (0.58) TGFBR1TGFBR2KDM4EALDH1A1GSK3B
SCHEMBL17840808 0.86 TGFBR1 (0.57) TGFBR1TGFBR2KDM4EALDH1A1WNT1
SCHEMBL17840643 0.85 TGFBR1 (0.58) TGFBR1TGFBR2KDM4EALDH1A1GSK3B
SCHEMBL17840930 0.84 TGFBR1 (0.78) 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
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
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

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 1/4885KDM4E 2283/4885

“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.