SCHEMBL798107

SCHEMBL798107

CCn1c2c(c3cc(F)ccc31)C(=O)NCC2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 4/20 0.54
BCHE P06276 3/20 0.50
ACHE P22303 2/20 0.50
BUB1 O43683 1/20 0.49
BRD4 O60885 4/20 0.46
CDC7 O00311 1/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
CREBBP Q92793 1/20 0.43
PER2 O15055 2/20 0.43
ALB P02768 1/20 0.43
CRY2 Q49AN0 1/20 0.43
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL7292545 0.82 PARP1 (0.45) RIPK3BCHEACHEBRD4CDC7
SCHEMBL1391 0.82 BRD4 (0.64) BCHEACHEBRD4BRD2BRD3
SCHEMBL14895869 0.78 HDAC1 (0.57) RIPK3BCHEACHE
SCHEMBL10155031 0.77 BCHE (0.66) BCHEACHEALB
SCHEMBL14894238 0.77 HDAC1 (0.56) RIPK3BCHEACHE
SCHEMBL14896064 0.75 HDAC1 (0.73)
SCHEMBL7284779 0.75 MCHR1 (0.49) RIPK3BCHEACHEBRD4CDC7
SCHEMBL10155029 0.73 BCHE (0.61) RIPK3BCHEACHEALB
SCHEMBL8134208 0.72 KDM4E (0.57) PER2CRY2
SCHEMBL13877230 0.71 BCHE (0.55) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 RIPK3 3021/4885BCHE 999/4885ACHE 3874/4885

“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.