SCHEMBL14516698

SCHEMBL14516698

Cc1cc(N(C(=O)OC(C)(C)C)c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(-c4cnn(C)c4)cnn23)sn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 13/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ IRAK1 P51617 2/20 0.40
▸ USP30 Q70CQ3 1/20 0.37
▸ PIK3CD O00329 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ KDM5A P29375 1/20 0.35

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
SCHEMBL11931080 0.93 IRAK1 (0.40) CHEK1CCNA2CDK2CCNA1IRAK1
SCHEMBL14516628 0.91 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1IRAK1
SCHEMBL14561897 0.87 TRPV3 (0.36) CHEK1CCNA2CDK2CCNA1USP30
SCHEMBL11931623 0.87 ALDH1A1 (0.35) PIK3CD
SCHEMBL11931624 0.87 PIK3CD (0.32) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL16784395 0.87 CHEK1 (0.59) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931626 0.85 PIK3CD (0.32) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL11931350 0.84 IRAK1 (0.43) CHEK1CCNA2CDK2CCNA1IRAK1
SCHEMBL14516630 0.84 KDM4E (0.34) IRAK1USP30PIK3CDGPR119KDM5A
SCHEMBL13794295 0.84 PIK3CD (0.32) PIK3CD

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-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 — — 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CHEK1 8/4885CCNA2 1270/4885CDK2 64/4885

“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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