SCHEMBL3780127

SCHEMBL3780127

CCc1ncc2c(n1)NCC(=O)N2C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.43
▸ EDNRA P25101 2/20 0.31
▸ EDNRB P24530 1/20 0.31
▸ MTOR P42345 3/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ RPTOR Q8N122 2/20 0.31
▸ MLST8 Q9BVC4 2/20 0.31
▸ CSF1R P07333 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30

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
SCHEMBL30033560 0.72 BRPF1 (0.44) BRPF1EDNRA
SCHEMBL12405339 0.70 BRPF1 (0.57) BRPF1EDNRAEDNRB
SCHEMBL27978057 0.70 XIAP (0.38) —
SCHEMBL28734412 0.70 BRPF1 (0.40) BRPF1MTORPIK3CARPTORMLST8
SCHEMBL17813461 0.68 BRPF1 (0.42) BRPF1MTORPIK3CARPTORMLST8
SCHEMBL27975731 0.68 RPS6KA3 (0.37) —
SCHEMBL12807167 0.67 KCNH2 (0.40) BRPF1
SCHEMBL21039035 0.67 BRPF1 (0.41) BRPF1
SCHEMBL22207509 0.67 BRPF1 (0.41) BRPF1EDNRAEDNRB
SCHEMBL27978052 0.67 — —

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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 — — 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 BRPF1 1186/4885EDNRA 1617/4885EDNRB 982/4885

“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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