SCHEMBL3785579

SCHEMBL3785579

CC1(C)CN(c2ccc3ncsc3c2)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
DYRK1A Q13627 9/20 0.40
CLK1 P49759 8/20 0.40
DYRK2 Q92630 8/20 0.40
DYRK1B Q9Y463 8/20 0.40
CLK4 Q9HAZ1 7/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
PIK3CD O00329 1/20 0.40
PRKCB P05771 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
HASPIN Q8TF76 1/20 0.40
GRM5 P41594 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 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
SCHEMBL414419 0.77 DYRK1A (0.42) OPRM1OPRL1DYRK1ACLK1DYRK2
SCHEMBL26683994 0.75 CRBN (0.50) DYRK1ACLK1DYRK2DYRK1BCLK4
SCHEMBL30688283 0.75 CRBN (0.50) DYRK1ACLK1DYRK2DYRK1BCLK4
SCHEMBL410875 0.74 CYP3A4 (0.43) DYRK1ACLK1DYRK2DYRK1BCLK4
SCHEMBL3780545 0.74 DYRK1A (0.44) DYRK1ACLK1DYRK2DYRK1BCLK4
SCHEMBL409024 0.73 LMNA (0.44) DYRK1ACLK1DYRK2DYRK1BCLK4
SCHEMBL423755 0.71 ALDH1A1 (0.44) DYRK1ADYRK2DYRK1BALDH1A1TDP1
SCHEMBL413327 0.70 L3MBTL1 (0.43) DYRK1ADYRK2DYRK1BALDH1A1TDP1
SCHEMBL3791106 0.70 NAMPT (0.40) AROPRM1OPRL1DYRK1ACLK1
SCHEMBL410434 0.70 L3MBTL1 (0.45) DYRK1ACLK1DYRK2DYRK1BCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
CN-102803250-B 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2014-04-16 CN disclosed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP disclosed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 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 (2 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-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 AR 857/4885OPRM1 2340/4885OPRL1 2637/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 AR 857/4885OPRM1 2340/4885OPRL1 2637/4885

“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.