SCHEMBL11931636

SCHEMBL11931636

[C-]#[N+]c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)co1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ PIK3CD O00329 2/20 0.33
▸ BTK Q06187 3/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31

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
SCHEMBL14218636 0.91 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL14572362 0.89 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL11931635 0.88 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL11931633 0.87 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1BTK
SCHEMBL11931637 0.87 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL13794761 0.87 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL11931577 0.86 CHEK1 (0.65) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218635 0.86 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1PIK3CD
SCHEMBL11931591 0.84 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1BTK
SCHEMBL11931578 0.84 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1PIK3CD

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-7563798-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-21 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070072882-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-20070072882-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CHEK1 60/4885CCNA2 29/4885CDK2 1/4885
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

“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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