SCHEMBL18554233

SCHEMBL18554233

COc1ccc(Cn2cnc3c(Nc4ccnc(NC(C)=O)c4)nc(-c4ccccn4)nc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.52
TGFBR2 P37173 7/20 0.52
HDAC1 Q13547 5/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC3 O15379 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 1/20 0.47
ADORA2A P29274 3/20 0.45
CYP3A4 P08684 1/20 0.45
CDK2 P24941 3/20 0.44
CCNE1 P24864 2/20 0.44
PDGFRA P16234 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
CTSL P07711 2/20 0.42
CCNE2 O96020 1/20 0.42
HDAC10 Q969S8 1/20 0.42
CCNA2 P20248 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
SCHEMBL18554274 0.91 TGFBR1 (0.53) TGFBR1TGFBR2HDAC1HDAC2HDAC3
SCHEMBL18554193 0.89 TGFBR1 (0.55) TGFBR1TGFBR2HDAC1HDAC2HDAC3
SCHEMBL18583774 0.88 TGFBR1 (0.56) TGFBR1TGFBR2HDAC1HDAC2HDAC3
SCHEMBL18554478 0.86 TGFBR1 (0.54) TGFBR1TGFBR2HDAC1HDAC2HDAC3
SCHEMBL18554357 0.86 CCNE1 (0.47) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL18554252 0.85 ADORA2A (0.42) TGFBR1TGFBR2HDAC1HDAC2HDAC3
SCHEMBL18554240 0.83 TGFBR1 (0.50) TGFBR1TGFBR2HDAC1HDAC2HDAC3
SCHEMBL18583683 0.83 TGFBR1 (0.57) TGFBR1TGFBR2HDAC1HDAC2HDAC3
SCHEMBL18554266 0.81 TGFBR1 (0.59) TGFBR1TGFBR2
SCHEMBL18554249 0.81 TGFBR1 (0.56) TGFBR1TGFBR2CDK2CCNE1PDGFRA

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 1/4885TGFBR2 2/4885HDAC1 503/4885

“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.