SCHEMBL3780409

SCHEMBL3780409

O=C(NCCCCl)Nc1cccnc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 2/20 0.81
CDK2 P24941 1/20 0.81
KEAP1 Q14145 2/20 0.63
NFE2L2 Q16236 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.59
RAB9A P51151 6/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.54
FPR2 P25090 1/20 0.53
NPC1 O15118 5/20 0.52
HTT P42858 1/20 0.52
PKM P14618 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL3787099 0.91 CDK2 (0.75) FLT4CDK2KEAP1NFE2L2L3MBTL1
SCHEMBL27699775 0.86 CDK2 (0.68) FLT4CDK2KEAP1NFE2L2L3MBTL1
Selenium SCHEMBL10544450 0.86 CDK2 (0.68) FLT4CDK2KEAP1NFE2L2L3MBTL1
SCHEMBL12989334 0.85 CDK2 (0.81) FLT4CDK2KEAP1NFE2L2L3MBTL1
SCHEMBL29128700 0.82 CDK2 (0.61) FLT4CDK2L3MBTL1RAB9AMEN1
SCHEMBL30725327 0.82 CDK2 (0.61) FLT4CDK2L3MBTL1RAB9AMEN1
SCHEMBL10987238 0.82 CDK2 (0.75) FLT4CDK2KEAP1NFE2L2L3MBTL1
SCHEMBL2234743 0.81 EPHX1 (0.68) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL17030476 0.81 CDK2 (0.72) FLT4CDK2KEAP1NFE2L2L3MBTL1
SCHEMBL30831950 0.81 CDK2 (0.73) FLT4CDK2KEAP1NFE2L2L3MBTL1

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 FLT4 1539/4885CDK2 1942/4885KEAP1 507/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 FLT4 1539/4885CDK2 1942/4885KEAP1 507/4885

“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.