SCHEMBL12724708

SCHEMBL12724708

C[Si](C)(C)Nc1ccnc(O)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.34
▸ SYK P43405 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ NUDT1 P36639 2/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL6056854 0.78 — —
SCHEMBL4570555 0.77 SORT1 (0.40) HRH4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4625173 0.74 — —
SCHEMBL396081 0.71 MAPK8 (0.32) —
SCHEMBL11847450 0.69 KDR (0.36) AURKASYK
SCHEMBL20306489 0.68 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5632484 0.68 ROCK1 (0.38) AURKAROCK1CYP1A2CYP3A4CYP2C9
SCHEMBL4884433 0.68 AURKA (0.65) AURKASYKROCK1
SCHEMBL11964357 0.67 RXFP1 (0.39) CYP1A2
SCHEMBL20325387 0.67 NPC1 (0.55) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES PHARMAESSENTIA CORP. (TW) 2012-10-11 — — US disclosed
US-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2011-04-21 — — 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-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES ATIC, DPYD, DUT AURKA 2937/4885SYK 3528/4885HRH4 3199/4885
US-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE NUDT1, NT5C3B, NTPCR AURKA 3517/4885SYK 4754/4885HRH4 3914/4885

“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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