SCHEMBL807891

SCHEMBL807891

O=c1c2cc(C(F)(F)F)ccc2ccn1-c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
MAT2A P31153 1/20 0.38
KIF11 P52732 1/20 0.38
CCR9 P51686 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DDR1 Q08345 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
SCHEMBL15467948 0.84 G6PD (0.37) G6PDTLR9CDC7CDK2KDM4E
SCHEMBL807970 0.79 PDE10A (0.39) CDC7CDK2KIF11KDM4EABL1
SCHEMBL14911616 0.78 ALOX12 (0.50) KDM4EMAPTALOX12CYP3A4CYP2A6
SCHEMBL6846000 0.74 CDC7 (0.43) TRPV1CDC7CDK2KIF11MAPT
SCHEMBL9149120 0.73 GRM1 (0.40) MAT2ACYP3A4
SCHEMBL28366314 0.73 LCK (0.43) G6PDTLR9TRPV1CDC7CDK2
SCHEMBL14992282 0.72 ALDH1A1 (0.51) MAT2ACYP3A4
SCHEMBL31285936 0.72 TRPV1 (0.51) G6PDTLR9TRPV1KDM4ELCK
SCHEMBL6847487 0.72 CYP11B2 (0.43) TRPV1KIF11LCKKITSRC
SCHEMBL28366388 0.71 TNF (0.45) G6PDTLR9KIF11ABL1LCK

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-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
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 G6PD 994/4885TLR9 4784/4885TRPV1 4603/4885

“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.