SCHEMBL798658

SCHEMBL798658

Cc1ccncc1N1CCc2ccc(Oc3cc(C(F)(F)F)ccn3)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.38
SRC P12931 4/20 0.38
SCN9A Q15858 2/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP17A1 P05093 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
DRD2 P14416 1/20 0.37
BACE1 P56817 1/20 0.36
HTR2C P28335 5/20 0.35
HTR2A P28223 4/20 0.35
HTR2B P41595 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
JAK1 P23458 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL793449 0.85 PARP1 (0.42) JAK2SRCCYP17A1HTR2CHTR2A
SCHEMBL793205 0.82 PDE10A (0.41) HTR2CHTR2B
SCHEMBL798794 0.81 HRH3 (0.40) JAK2SRCSCN9ASCN7AKCNH2
SCHEMBL793755 0.81 PRMT5 (0.37) DRD2HRH3
SCHEMBL793208 0.80 CYP19A1 (0.44) JAK2DRD2HTR2CHTR2AHTR2B
SCHEMBL793461 0.79 CYP11B2 (0.43) JAK2SRCCYP17A1HTR2CHTR2A
SCHEMBL807968 0.76 F10 (0.41)
SCHEMBL15471694 0.75 MAPT (0.43) HTR2CHTR2AHTR2B
SCHEMBL797877 0.74 CYP11B2 (0.41) NPC1RAB9A
SCHEMBL793423 0.73 PARP1 (0.43) CYP17A1HTR2CHTR2AHTR2B

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 JAK2 726/4885SRC 3840/4885SCN9A 1864/4885

“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.