SCHEMBL15467948

SCHEMBL15467948

O=c1c2cc(C(F)(F)F)ccc2ccn1-c1cncc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.37
TLR9 Q9NR96 1/20 0.37
DDR1 Q08345 2/20 0.37
CYP11B2 P19099 5/20 0.36
CYP11B1 P15538 3/20 0.36
MIF P14174 1/20 0.36
LCK P06239 2/20 0.35
KIT P10721 2/20 0.35
SRC P12931 2/20 0.35
KDR P35968 1/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
EPAS1 Q99814 1/20 0.34
ABL1 P00519 1/20 0.33
PDGFRA P16234 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL807891 0.84 G6PD (0.43) G6PDTLR9DDR1LCKKIT
SCHEMBL14992444 0.74 CYP3A4 (0.36) CYP11B2MIFKCNH2LMNAMCHR1
SCHEMBL807970 0.73 PDE10A (0.39) DDR1LCKKITSRCKDR
SCHEMBL28366314 0.72 LCK (0.43) G6PDTLR9DDR1MIFLCK
SCHEMBL12160601 0.69 DDR1 (0.46) G6PDTLR9DDR1MIFKIT
SCHEMBL28366232 0.68 KIF11 (0.45) G6PDTLR9MIFCDC7MAPT
SCHEMBL31285936 0.68 TRPV1 (0.51) G6PDTLR9LCKKITSRC
SCHEMBL20688873 0.66 CYP11B2 (0.36) CYP11B2CYP11B1KCNH2
SCHEMBL28366388 0.65 TNF (0.45) G6PDTLR9LCKKITSRC
SCHEMBL31456692 0.65 CA12 (0.40) CYP11B2

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 6 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

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 G6PD 994/4885TLR9 4784/4885DDR1 2701/4885

“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.