SCHEMBL11931578

SCHEMBL11931578

Cc1cc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(-c4cscn4)cnn23)sn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.47
▸ CCNA2 P20248 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CCNA1 P78396 2/20 0.47
▸ TRPV3 Q8NET8 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ BTK Q06187 4/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL14218635 0.88 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL11931591 0.88 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL11935871 0.87 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL11931577 0.86 CHEK1 (0.65) CHEK1CCNA2CDK2CCNA1IRAK1
SCHEMBL11931622 0.86 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL11931633 0.85 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL14218636 0.85 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL11931634 0.84 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL11931636 0.84 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1TRPV3
SCHEMBL14572362 0.83 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1TRPV3

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 6 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
WO-2008045266-A2 PYRAZOLOPYRIMIDIWES AS CYCLIN DEPENDENT KINASE INHIBITOR SCHERING CORPORATION (US) 2008-04-17 — — WO 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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