SCHEMBL793208

SCHEMBL793208

COc1ccc2c(c1)C(=O)N(c1cnccc1C)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TNF P01375 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP11B2 P19099 5/20 0.42
CYP11B1 P15538 3/20 0.41
CHEK1 O14757 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
IGF1R P08069 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
RPS6KA3 P51812 1/20 0.41
NEK2 P51955 1/20 0.41
STK3 Q13188 1/20 0.41
CAMK4 Q16566 1/20 0.41
TSSK2 Q96PF2 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL793336 0.91 CYP19A1 (0.45) CYP19A1ALDH1A1CYP11B2CYP11B1IDO1
SCHEMBL793205 0.87 PDE10A (0.41) CYP11B2CYP11B1HTR2CHTR2B
SCHEMBL15471694 0.85 MAPT (0.43) CYP19A1CYP11B2CYP11B1HTR2AHTR2C
SCHEMBL807794 0.85 KMT2A (0.51) CYP19A1MEN1KMT2AALDH1A1HPGD
SCHEMBL797877 0.84 CYP11B2 (0.41) MEN1KMT2AALDH1A1CYP11B2CYP11B1
SCHEMBL807968 0.84 F10 (0.41)
SCHEMBL793768 0.83 CYP11B2 (0.41) CYP19A1TNFCYP11B2CYP11B1TYMS
SCHEMBL793377 0.83 CYP11B2 (0.51) CYP11B2CYP11B1HTR2AHTR2CTYMS
SCHEMBL793755 0.83 PRMT5 (0.37) CYP11B2CYP11B1DRD2
SCHEMBL807907 0.82 CYP11B2 (0.43) CYP11B2CYP11B1HTR2AHTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US claimed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP claimed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO claimed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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 (1 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP19A1 19/4885MEN1 861/4885KMT2A 660/4885

“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.