SCHEMBL20225392

SCHEMBL20225392

C=CC(=C)Nc1ccc(C(=O)Nc2cccc(Nc3nc(-c4cnc5[nH]ccc5c4)c4occc4n3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 6/20 0.52
▸ CCNH P51946 5/20 0.52
▸ PIP4K2A P48426 4/20 0.45
▸ PIP4K2B P78356 4/20 0.45
▸ PIKFYVE Q9Y2I7 2/20 0.40
▸ BTK Q06187 2/20 0.39
▸ ITK Q08881 1/20 0.39
▸ CDK8 P49336 3/20 0.39
▸ PDGFRB P09619 3/20 0.37
▸ PDGFRA P16234 3/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ DCLK1 O15075 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ FES P07332 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
SCHEMBL18346151 0.94 CDK7 (0.56) CDK7CCNHPIP4K2APIP4K2BBTK
SCHEMBL20225384 0.85 CDK7 (0.75) CDK7CCNHPIP4K2APIP4K2BCDK1
SCHEMBL18313107 0.78 CDK7 (0.76) CDK7CCNHPIP4K2APIP4K2BBTK
SCHEMBL14979755 0.76 PDGFRA (0.59) CDK7CCNHPIP4K2APIP4K2BBTK
SCHEMBL18346307 0.75 CDK7 (0.43) CDK7CCNHBTKITKPDGFRA
SCHEMBL20228952 0.75 CDK7 (0.63) CDK7CCNHPIP4K2APIP4K2BCDK1
SCHEMBL18346365 0.74 CDK7 (0.55) CDK7CCNHPIP4K2APIP4K2BPIKFYVE
SCHEMBL18346338 0.73 CDK7 (0.50) CDK7CCNHPIP4K2APIP4K2BPIKFYVE
SCHEMBL23609231 0.73 CDK7 (0.67) CDK7CCNHPIP4K2APIP4K2BBTK
SCHEMBL20228962 0.72 CDK7 (0.79) CDK7CCNHPIP4K2APIP4K2BCDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 — — US 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-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885PIP4K2A 16/4885

“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.

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