SCHEMBL14538467

SCHEMBL14538467

CNS(=O)(=O)c1sc(Nc2nc(CC3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 5/20 0.40
▸ AURKB Q96GD4 12/20 0.40
▸ AURKA O14965 8/20 0.40
▸ SYK P43405 1/20 0.39
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ PTK6 Q13882 1/20 0.38
▸ IRAK1 P51617 2/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38

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
SCHEMBL14536988 0.96 AURKB (0.42) CHEK1AURKBAURKACCNA2CDK2
SCHEMBL12404570 0.91 CHEK1 (0.40) CHEK1AURKBAURKASYKCCNA2
SCHEMBL12404575 0.87 AURKB (0.42) CHEK1AURKBAURKACCNA2CDK2
SCHEMBL12404571 0.82 CHEK1 (0.59) CHEK1AURKBAURKACCNA2CDK2
SCHEMBL12404650 0.79 CHEK1 (0.45) CHEK1AURKBAURKACCNA2CDK2
SCHEMBL14538390 0.79 CHEK1 (0.45) CHEK1AURKBAURKACCNA2CDK2
SCHEMBL13954903 0.78 AURKB (0.56) CHEK1AURKBAURKAPTK6IRAK4
SCHEMBL14507498 0.78 CHEK1 (0.60) CHEK1AURKBAURKACCNA2CDK2
SCHEMBL14537065 0.77 CHEK1 (0.68) CHEK1AURKBAURKAPTK6
SCHEMBL14536769 0.76 AURKB (0.62) CHEK1AURKBAURKAPTK6

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-20140274888-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2014-09-18 — — US disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO 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-20140274888-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 CHEK1 4475/4885AURKB 2005/4885AURKA 2409/4885

“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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