SCHEMBL11931375

SCHEMBL11931375

CB(O)N1CCCC(c2cc(NC3CCCC3)n3ncc(-c4cnn(C)c4)c3n2)C1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.64
▸ CCNA2 P20248 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CCNA1 P78396 3/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL11931378 0.93 CHEK1 (0.70) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931377 0.90 CHEK1 (0.53) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931373 0.89 CHEK1 (0.66) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931376 0.89 CHEK1 (0.66) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931374 0.88 CHEK1 (0.54) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931380 0.87 CHEK1 (0.68) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931598 0.86 CHEK1 (0.58) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931601 0.85 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931604 0.84 CHEK1 (0.69) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931600 0.84 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1

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-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-29 — — 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 (3 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
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CHEK1 8/4885CCNA2 1270/4885CDK2 64/4885
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CHEK1 60/4885CCNA2 29/4885CDK2 1/4885

“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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