SCHEMBL18554209

SCHEMBL18554209

O=C(Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3[nH]cnc23)ccn1)C1CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.76
TGFBR2 P37173 5/20 0.76
BRAF P15056 1/20 0.51

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
SCHEMBL18554210 0.89 TGFBR1 (0.64) TGFBR1TGFBR2
SCHEMBL18554245 0.89 TGFBR1 (0.76) TGFBR1TGFBR2
SCHEMBL18456541 0.86 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18554243 0.85 TGFBR1 (0.65) TGFBR1TGFBR2
SCHEMBL18554269 0.84 TGFBR1 (0.66) TGFBR1TGFBR2
SCHEMBL18554165 0.83 TGFBR1 (0.67) TGFBR1TGFBR2
SCHEMBL18397440 0.79 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18554130 0.77 TGFBR1 (0.66) TGFBR1TGFBR2
SCHEMBL18554301 0.77 TGFBR1 (0.73) TGFBR1TGFBR2
SCHEMBL18554355 0.76 TGFBR1 (0.75) TGFBR1TGFBR2

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-20180250303-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-09-06 US claimed
EP-3341372-A1 TGF BETA RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2018-07-04 EP claimed
WO-2017035118-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-02 WO claimed
US-20180250303-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-09-06 US disclosed
EP-3341372-A1 TGF BETA RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2018-07-04 EP disclosed
WO-2017035118-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-02 WO disclosed
WO-2017035118-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-02 WO 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-20180250303-A1 TGF BETA RECEPTOR ANTAGONISTS TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885TGFBR2 2/4885BRAF 1283/4885

“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.