SCHEMBL798870

SCHEMBL798870

Cc1ccncc1N1CCc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.47
BCAT2 O15382 2/20 0.45
CYP11B1 P15538 5/20 0.43
GRM1 Q13255 1/20 0.42
KMT2A Q03164 2/20 0.42
CASP3 P42574 1/20 0.42
CASP6 P55212 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP17A1 P05093 2/20 0.41
CYP19A1 P11511 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
GRM4 Q14833 1/20 0.40
CYP1A2 P05177 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL807995 0.89 CYP11B2 (0.42) CYP11B2BCAT2CYP11B1TDP1
SCHEMBL807907 0.89 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL15466773 0.84 CYP11B2 (0.47) CYP11B2CYP11B1ALDH1A1
SCHEMBL15471694 0.84 MAPT (0.43) CYP11B2CYP11B1CYP19A1
SCHEMBL793824 0.83 CYP11B2 (0.46) CYP11B2CYP11B1CYP19A1
SCHEMBL797877 0.83 CYP11B2 (0.41) CYP11B2CYP11B1KMT2ANPC1RAB9A
SCHEMBL23356622 0.83 KMT2A (0.55) BCAT2GRM1KMT2ACASP3CASP6
SCHEMBL29458437 0.83 KMT2A (0.55) BCAT2GRM1KMT2ACASP3CASP6
SCHEMBL793768 0.82 CYP11B2 (0.41) CYP11B2CYP11B1CYP19A1
SCHEMBL793106 0.82 CYP11B2 (0.48) CYP11B2CYP11B1CYP19A1

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-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

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 CYP11B2 30/4885BCAT2 593/4885CYP11B1 18/4885

“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.