SCHEMBL496846

SCHEMBL496846

CN(C)c1ncnc2ccc(C=C3SC(=S)NC3=O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
DYRK1A Q13627 6/20 0.56
DYRK2 Q92630 4/20 0.56
CLK4 Q9HAZ1 3/20 0.56
PIK3CD O00329 3/20 0.56
CSNK2A2 P19784 3/20 0.56
PIK3CA P42336 3/20 0.56
PIK3CG P48736 3/20 0.56
CLK1 P49759 3/20 0.56
CSNK2B P67870 3/20 0.56
CSNK2A1 P68400 3/20 0.56
DYRK1B Q9Y463 3/20 0.56
HASPIN Q8TF76 2/20 0.56
PRKCB P05771 1/20 0.56
PIM1 P11309 4/20 0.55
STK17A Q9UEE5 2/20 0.55
CLK3 P49761 1/20 0.55
MYLK2 Q9H1R3 1/20 0.55
PDE4B Q07343 4/20 0.50

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
SCHEMBL496844 1.00 CRHBP (0.56) CRHBPCRHR2DYRK1ADYRK2CLK4
SCHEMBL10093409 1.00 CRHBP (0.56) CRHBPCRHR2DYRK1ADYRK2CLK4
SCHEMBL2882375 0.90 CISD1 (0.60) DYRK1ADYRK2PIK3CDCSNK2A2PIK3CA
SCHEMBL12975463 0.90 CISD1 (0.60) DYRK1ADYRK2PIK3CDCSNK2A2PIK3CA
SCHEMBL2882373 0.90 CISD1 (0.60) DYRK1ADYRK2PIK3CDCSNK2A2PIK3CA
SCHEMBL2882012 0.87 PIP4K2A (0.48) CRHBPCRHR2DYRK1ADYRK2CLK4
SCHEMBL12975484 0.87 PIP4K2A (0.48) CRHBPCRHR2DYRK1ADYRK2CLK4
SCHEMBL2882014 0.87 PIP4K2A (0.48) CRHBPCRHR2DYRK1ADYRK2CLK4
SCHEMBL10093421 0.85 DYRK3 (0.46) DYRK1ADYRK2CLK4PIK3CDCSNK2A2
SCHEMBL496986 0.85 DYRK3 (0.46) DYRK1ADYRK2CLK4PIK3CDCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106214-B2 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors MERCK SERONO SA (CH) 2012-01-31 US disclosed
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP disclosed
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-01-25 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 (1 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-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B CRHBP 4009/4885CRHR2 4160/4885DYRK1A 2093/4885

“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.