SCHEMBL18554358

SCHEMBL18554358

COc1ccc(Cn2cnc3c(Nc4cc(Cl)ncc4F)nc(-c4cccc(C(F)F)n4)nc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.42
PDGFRA P16234 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TGFBR1 P36897 11/20 0.40
CTSL P07711 2/20 0.39
MET P08581 1/20 0.39
BMPR1B O00238 2/20 0.37
ACVR1B P36896 2/20 0.37
ACVRL1 P37023 2/20 0.37
ACVR1 Q04771 2/20 0.37
BMPR1A P36894 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TGFBR2 P37173 2/20 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
SCHEMBL18554246 0.89 TGFBR1 (0.50) TGFBR1TGFBR2
SCHEMBL18554218 0.88 TGFBR1 (0.57) PDGFRACCNE1CDK2HDAC1HDAC3
SCHEMBL18554302 0.88 PDGFRA (0.43) YTHDC1PDGFRACCNE1CDK2HDAC1
SCHEMBL18554195 0.85 TGFBR1 (0.52) YTHDC1PDGFRACCNE1CDK2HDAC1
SCHEMBL18554200 0.81 PDGFRA (0.46) YTHDC1PDGFRACCNE1CDK2HDAC1
SCHEMBL18554111 0.80 TGFBR1 (0.56) YTHDC1PDGFRACCNE1CDK2HDAC1
SCHEMBL18554152 0.78 TGFBR1 (0.50) HDAC1HDAC3HDAC2HDAC8TGFBR1
SCHEMBL18583774 0.78 TGFBR1 (0.56) PDGFRACCNE1CDK2HDAC1HDAC3
SCHEMBL18554235 0.76 TGFBR1 (0.56) PDGFRACCNE1CDK2HDAC1HDAC3
SCHEMBL18554192 0.76 TGFBR1 (0.50) HDAC1HDAC3HDAC2HDAC8TGFBR1

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 YTHDC1 4700/4885PDGFRA 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.