SCHEMBL3780545

SCHEMBL3780545

CC1CN(c2ccc3ncsc3c2)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.44
CLK1 P49759 6/20 0.44
DYRK1B Q9Y463 6/20 0.44
MMP2 P08253 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 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
SCHEMBL3789473 0.81 LMNA (0.36) DYRK1ACLK1DYRK1BMMP2ADAMTS5
SCHEMBL3775948 0.75 DYRK1A (0.39) DYRK1ACLK1DYRK1BMMP2ADAMTS5
SCHEMBL414419 0.74 DYRK1A (0.42) DYRK1ACLK1DYRK1BTDP1L3MBTL1
SCHEMBL410875 0.74 CYP3A4 (0.43) DYRK1ACLK1DYRK1BTDP1L3MBTL1
SCHEMBL3782045 0.74 CLK1 (0.41) DYRK1ACLK1DYRK1BMMP2ADAMTS5
SCHEMBL3785579 0.74 AR (0.48) DYRK1ACLK1DYRK1BMMP2ADAMTS5
SCHEMBL409024 0.73 LMNA (0.44) DYRK1ACLK1DYRK1BTDP1L3MBTL1
SCHEMBL26683994 0.72 CRBN (0.50) DYRK1ACLK1DYRK1BTDP1L3MBTL1
SCHEMBL30688283 0.72 CRBN (0.50) DYRK1ACLK1DYRK1BTDP1L3MBTL1
SCHEMBL423755 0.71 ALDH1A1 (0.44) DYRK1ADYRK1BTDP1L3MBTL1POLB

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
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
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-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 DYRK1A 3893/4885CLK1 4510/4885DYRK1B 3773/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 DYRK1A 3893/4885CLK1 4510/4885DYRK1B 3773/4885

“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.