SCHEMBL10453083

SCHEMBL10453083

CN1C(=O)[C@H](I)N(C2CCCC2)c2nc(Cl)ncc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.45
▸ PIP4K2B P78356 1/20 0.45
▸ PLK1 P53350 17/20 0.43
▸ PLK2 Q9NYY3 14/20 0.43
▸ PLK3 Q9H4B4 12/20 0.41
▸ MAPK7 Q13164 2/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ BRD4 O60885 3/20 0.39
▸ TAF1 P21675 1/20 0.39
▸ BRDT Q58F21 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
SCHEMBL16405219 0.86 BRD4 (0.50) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL31098067 0.85 BRD4 (0.49) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL4080282 0.84 PIP4K2A (0.44) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL4515284 0.84 PIP4K2A (0.44) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL31098072 0.83 PLK1 (0.52) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL10320062 0.83 PLK1 (0.61) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL3797118 0.83 PLK1 (0.58) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL1527197 0.83 PLK1 (0.61) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL376094 0.83 PLK1 (0.61) PIP4K2APIP4K2BPLK1PLK2PLK3
SCHEMBL23849175 0.81 PIP4K2A (0.66) PIP4K2APIP4K2BPLK1PLK2PLK3

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-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 — — 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-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK PIP4K2A 56/4885PIP4K2B 47/4885PLK1 201/4885

“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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