SCHEMBL11931396

SCHEMBL11931396

CC(C)(C)OC(=O)Nc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2ccnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ HPGDS O60760 1/20 0.41
▸ PRMT5 O14744 2/20 0.41
▸ USP30 Q70CQ3 3/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ SCN9A Q15858 1/20 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
SCHEMBL11931237 0.86 TRPV3 (0.48) TRPV3JAK2JAK1HPGDSPRMT5
SCHEMBL14541612 0.85 TRPV3 (0.45) TRPV3JAK2JAK1HPGDSPRMT5
SCHEMBL11931257 0.84 CHEK1 (0.50) TRPV3JAK2JAK1HPGDSPRMT5
SCHEMBL11931256 0.84 TRPV3 (0.45) TRPV3JAK2JAK1HPGDSPRMT5
SCHEMBL14050952 0.83 TRPV3 (0.46) TRPV3JAK2JAK1HPGDSPRMT5
SCHEMBL14050868 0.83 TRPV3 (0.43) TRPV3JAK2JAK1HPGDSPRMT5
SCHEMBL593570 0.81 TRPV3 (0.47) TRPV3HPGDSUSP30GPR119CCNK
SCHEMBL2679959 0.79 CHEK1 (0.48) TRPV3HPGDSUSP30GPR119CCNK
SCHEMBL594178 0.79 GPR119 (0.45) TRPV3USP30GPR119CCNKCDK12
SCHEMBL11931347 0.79 CHEK1 (0.51) USP30IRAK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069349-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-06-15 — — EP disclosed
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
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-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-7605155-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-10-20 — — US disclosed
WO-2008045267-A2 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-04-17 — — WO 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 TRPV3 4249/4885JAK2 400/4885JAK1 141/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 TRPV3 4249/4885JAK2 400/4885JAK1 141/4885
US-20070072881-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A TRPV3 4323/4885JAK2 254/4885JAK1 151/4885

“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.

Send feedback