SCHEMBL18554192

SCHEMBL18554192

COc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.50
BUB1 O43683 2/20 0.47
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL18554152 0.90 TGFBR1 (0.50) TGFBR1BUB1HDAC3HDAC1HDAC2
SCHEMBL18554302 0.89 PDGFRA (0.43) TGFBR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18554354 0.88 BUB1 (0.51) TGFBR1BUB1HDAC3HDAC1HDAC2
SCHEMBL18554246 0.88 TGFBR1 (0.50) TGFBR1BUB1
SCHEMBL18554142 0.88 TGFBR1 (0.44) TGFBR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18583414 0.86 TGFBR1 (0.52) TGFBR1BUB1
SCHEMBL18554474 0.86 TGFBR1 (0.49) TGFBR1BUB1HDAC3HDAC1HDAC2
SCHEMBL18554235 0.84 TGFBR1 (0.56) TGFBR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18554372 0.84 TGFBR1 (0.56) TGFBR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18583361 0.83 TGFBR1 (0.47) TGFBR1BUB1

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 4 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 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 1/4885BUB1 338/4885HDAC3 1362/4885

“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.