Sugi Predict

Sugi Predict / Compounds / SCHEMBL73868

SCHEMBL73868

SCHEMBL73868

CCc1nc(Nc2cccc(C(=O)NC)c2OC)nc2c1-n1cnc(C(=O)O)c1[C@@H](CC)N2C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 14/20 0.49
▸ BRD4 O60885 3/20 0.39
▸ PLK3 Q9H4B4 5/20 0.38
▸ PLK2 Q9NYY3 4/20 0.38
▸ PTK2 Q05397 4/20 0.37
▸ INSR P06213 3/20 0.37
▸ ALK Q9UM73 3/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PRKCG P05129 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ NEK4 P51957 1/20 0.37
▸ CAMK2G Q13555 1/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ SRPK1 Q96SB4 1/20 0.37
▸ PRKD2 Q9BZL6 1/20 0.37
▸ CSNK1G1 Q9HCP0 1/20 0.37
▸ CSNK1G3 Q9Y6M4 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
SCHEMBL74103 0.80 PLK1 (0.53) PLK1BRD4PLK3PLK2PTK2
SCHEMBL74216 0.73 PLK1 (0.81) PLK1BRD4PLK3PLK2PTK2
SCHEMBL74215 0.73 PLK1 (0.81) PLK1BRD4PLK3PLK2PTK2
SCHEMBL1120144 0.71 PLK1 (0.53) PLK1BRD4PLK3PLK2PTK2
SCHEMBL6127769 0.69 PLK1 (0.59) PLK1BRD4PLK3PLK2
SCHEMBL73871 0.68 PLK1 (0.91) PLK1BRD4PLK3PLK2PTK2
SCHEMBL73872 0.68 PLK1 (0.91) PLK1BRD4PLK3PLK2PTK2
SCHEMBL6124280 0.68 PLK1 (0.73) PLK1BRD4PLK3PLK2PTK2
SCHEMBL84783 0.67 PLK1 (0.82) PLK1BRD4PLK3PLK2PTK2
SCHEMBL3234543 0.65 PLK1 (0.82) PLK1BRD4PLK3PLK2PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557818-B2 Compounds useful as protein kinase inhibitors VERTEX PHAMACEUTICALS INCORPORATED (US) 2013-10-15 — — US disclosed
US-20120122879-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-17 — — US disclosed
US-8129387-B2 Substituted 5,6-dihydroimidazo[1,5-F]pteridines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 — — US disclosed
EP-2102210-B1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-02-09 — — EP disclosed
US-20100099686-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-04-22 — — 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 (2 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-20120122879-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PLK1 33/4885BRD4 928/4885PLK3 373/4885
US-20100099686-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PLK1 33/4885BRD4 928/4885PLK3 373/4885

“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.