SCHEMBL18554142

SCHEMBL18554142

COc1ccc(Cn2cnc3c(Nc4ccnc(Cl)c4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.44
PDGFRA P16234 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
CTSL P07711 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 2/20 0.38
MET P08581 1/20 0.38
NR3C1 P04150 1/20 0.38
CNR2 P34972 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
SCHEMBL18554372 0.88 TGFBR1 (0.56) TGFBR1PDGFRACCNE1CDK2CTSL
SCHEMBL18554195 0.88 TGFBR1 (0.52) TGFBR1PDGFRACCNE1CDK2YTHDC1
SCHEMBL18554192 0.88 TGFBR1 (0.50) TGFBR1HDAC1HDAC3HDAC2HDAC8
SCHEMBL18554302 0.85 PDGFRA (0.43) TGFBR1PDGFRACCNE1CDK2YTHDC1
SCHEMBL18554119 0.84 PDGFRA (0.46) TGFBR1PDGFRACCNE1CDK2YTHDC1
SCHEMBL18554294 0.84 PDGFRA (0.48) TGFBR1PDGFRACCNE1CDK2YTHDC1
SCHEMBL23007800 0.83 CNR2 (0.44) PDGFRACCNE1CDK2YTHDC1CTSL
SCHEMBL29363336 0.83 CNR2 (0.44) PDGFRACCNE1CDK2YTHDC1CTSL
SCHEMBL18583683 0.81 TGFBR1 (0.57) TGFBR1HDAC1HDAC3HDAC2HDAC8
SCHEMBL18554193 0.81 TGFBR1 (0.55) TGFBR1HDAC1HDAC3HDAC2HDAC8

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 1/4885PDGFRA 51/4885CCNE1 1044/4885

“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.