SCHEMBL18554357

SCHEMBL18554357

COc1ccc(Cn2cnc3c(Nc4ccnc(Br)c4)nc(-c4ccccn4)nc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
PDGFRA P16234 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ADORA2A P29274 3/20 0.45
CTSL P07711 2/20 0.45
ABCB1 P08183 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
CCNE2 O96020 1/20 0.43
YTHDC1 Q96MU7 1/20 0.42
BUB1 O43683 2/20 0.40
HIF1A Q16665 1/20 0.40
FLT3 P36888 1/20 0.40
SRC P12931 1/20 0.39
CDK1 P06493 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL18554366 0.90 CCNE1 (0.48) CCNE1CDK2PDGFRAHDAC1HDAC6
SCHEMBL18554119 0.88 PDGFRA (0.46) CCNE1CDK2PDGFRAHDAC1HDAC6
SCHEMBL18554200 0.87 PDGFRA (0.46) CCNE1CDK2PDGFRAHDAC1HDAC6
SCHEMBL18554233 0.86 TGFBR1 (0.52) CCNE1CDK2PDGFRAHDAC1HDAC6
SCHEMBL18554297 0.85 PDGFRA (0.45) CCNE1CDK2PDGFRAHDAC1HDAC6
SCHEMBL18554354 0.79 BUB1 (0.51) HDAC1HDAC3HDAC2HDAC8CTSL
SCHEMBL18554294 0.78 PDGFRA (0.48) CCNE1CDK2PDGFRAHDAC1HDAC6
SCHEMBL18554274 0.77 TGFBR1 (0.53) CCNE1CDK2PDGFRAHDAC1HDAC6
SCHEMBL18554322 0.76 HPGD (0.60) ADORA2ACTSLYTHDC1HIF1AHPGD
SCHEMBL18583683 0.75 TGFBR1 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC8

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 CCNE1 1044/4885CDK2 274/4885PDGFRA 51/4885

“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.