SCHEMBL410875

SCHEMBL410875

O=C1NCCN1c1ccc2ncsc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
SCN9A Q15858 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
DYRK1A Q13627 5/20 0.40
CLK1 P49759 4/20 0.40
DYRK2 Q92630 4/20 0.40
DYRK1B Q9Y463 4/20 0.40

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
SCHEMBL26683994 0.81 CRBN (0.50) CYP3A4LMNAGAACYP2C9CYP2C19
SCHEMBL30688283 0.81 CRBN (0.50) CYP3A4LMNAGAACYP2C9CYP2C19
SCHEMBL409024 0.79 LMNA (0.44) CYP3A4LMNAGAACYP2C9CYP2C19
SCHEMBL414419 0.77 DYRK1A (0.42) CYP3A4LMNAGAACYP2C9CYP2C19
SCHEMBL423755 0.77 ALDH1A1 (0.44) CYP3A4LMNAGAACYP2C9CYP2C19
SCHEMBL413327 0.76 L3MBTL1 (0.43) CYP3A4LMNAGAACYP2C9CYP2C19
SCHEMBL21091414 0.75 GAA (0.57) CYP3A4LMNAGAACYP2C9CYP2C19
SCHEMBL38664668 0.75 CYP3A4 (0.48) CYP3A4LMNAGAACYP2C9CYP2C19
SCHEMBL8257694 0.75 CYP3A4 (0.48) CYP3A4LMNAGAACYP2C9CYP2C19
SCHEMBL414418 0.74 LMNA (0.45) CYP3A4LMNAGAACYP2C9CYP2C19

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 8 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-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
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US disclosed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 WO 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 CYP3A4 24/4885LMNA 3854/4885GAA 899/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 CYP3A4 24/4885LMNA 3854/4885GAA 899/4885

“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.