SCHEMBL11931160

SCHEMBL11931160

O=C(Nc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(C3CC3)cnn12)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.45
▸ JAK2 O60674 3/20 0.42
▸ JAK1 P23458 3/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ GRIN2B Q13224 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HDAC1 Q13547 5/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PDE2A O00408 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LCK P06239 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
SCHEMBL11931159 0.92 GRIN2B (0.47) USP30JAK2JAK1TYK2JAK3
SCHEMBL11931178 0.86 JAK2 (0.42) USP30JAK2JAK1TYK2JAK3
SCHEMBL14395118 0.83 PDE2A (0.41) HDAC1GSK3BRAB9APDE2AMAPK1
SCHEMBL13901347 0.83 JAK2 (0.44) USP30JAK2JAK1TYK2JAK3
SCHEMBL13901233 0.83 JAK2 (0.46) USP30JAK2JAK1TYK2JAK3
SCHEMBL13901490 0.81 JAK2 (0.44) USP30JAK2JAK1TYK2JAK3
SCHEMBL11931133 0.80 GSK3B (0.49) USP30JAK2JAK1TYK2JAK3
SCHEMBL13998621 0.79 GSK3B (0.52) USP30JAK2JAK1TYK2JAK3
SCHEMBL12954179 0.79 GSK3B (0.67) GSK3B
SCHEMBL13901577 0.78 NTRK1 (0.41) HDAC1GSK3BRAB9APDE2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-7511049-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 — — US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 — — US disclosed
EP-1534710-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-10-24 — — EP disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — 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-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS CDK2, CDK1, CDKN1A USP30 1973/4885JAK2 303/4885JAK1 179/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 USP30 2723/4885JAK2 400/4885JAK1 141/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 USP30 2723/4885JAK2 400/4885JAK1 141/4885

“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