SCHEMBL3783757

SCHEMBL3783757

Cc1ccncc1-n1ccn(-c2ccc3sccc3c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.47
CYP19A1 P11511 1/20 0.39
NAMPT P43490 1/20 0.34
LPAR5 Q9H1C0 1/20 0.33
GRM1 Q13255 2/20 0.33
HTR2C P28335 1/20 0.32
MAPT P10636 1/20 0.31
CYP2A6 P11509 1/20 0.31
CHRNA7 P36544 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL3784019 0.78 GRM1 (0.45) CYP17A1CYP19A1NAMPTGRM1MAPT
SCHEMBL3777898 0.78 CYP17A1 (0.72) CYP17A1DRD2DRD3KCNH2
SCHEMBL3784015 0.77 CYP17A1 (0.33) CYP17A1CYP19A1
SCHEMBL3776332 0.73 CYP19A1 (0.38) CYP19A1KCNH2
SCHEMBL27955258 0.65 DHODH (0.32) CYP17A1MAPT
SCHEMBL26683731 0.65 CRBN (0.49) CYP17A1LPAR5GRM1CYP2A6CHRNA7
SCHEMBL13737431 0.65 CYP17A1 (1.00) CYP17A1
SCHEMBL3788473 0.63 CYP17A1 (0.64) CYP17A1NAMPTCHRNA7DRD2DRD3
SCHEMBL15471706 0.63 CYP19A1 (0.39) CYP19A1MAPTCYP2A6
SCHEMBL15945056 0.62 GRM1 (0.39) CYP17A1NAMPTGRM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP claimed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US claimed
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
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 CYP17A1 1/4885CYP19A1 25/4885NAMPT 791/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 CYP17A1 1/4885CYP19A1 25/4885NAMPT 791/4885

“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.