SCHEMBL793449

SCHEMBL793449

Cc1ccncc1N1CCc2ccc(C(F)(F)F)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 1/20 0.40
CYP11B2 P19099 6/20 0.40
CYP19A1 P11511 1/20 0.40
CYP17A1 P05093 3/20 0.39
CYP11B1 P15538 4/20 0.39
JAK2 O60674 3/20 0.39
SRC P12931 3/20 0.39
PDE10A Q9Y233 1/20 0.38
NOTUM Q6P988 1/20 0.38
JAK1 P23458 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL793461 0.91 CYP11B2 (0.43) HTR2AHTR2CHTR2BCYP11B2CYP19A1
SCHEMBL793423 0.87 PARP1 (0.43) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL798658 0.85 JAK2 (0.38) HTR2AHTR2CHTR2BCYP17A1JAK2
SCHEMBL15471694 0.84 MAPT (0.43) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL797906 0.84 PARP1 (0.41) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL797817 0.84 CYP11B2 (0.39) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL793205 0.84 PDE10A (0.41) HTR2CHTR2BCYP11B2CYP11B1PDE10A
SCHEMBL793796 0.84 CYP17A1 (0.58) CYP17A1
SCHEMBL797877 0.83 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL793768 0.82 CYP11B2 (0.41) CYP11B2CYP19A1CYP11B1

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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US 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 PARP1 2549/4885PARP10 940/4885HTR2A 3716/4885

“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.