SCHEMBL807970

SCHEMBL807970

Cc1ccncc1-n1ccc2ccc(C(F)(F)F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
DDR1 Q08345 5/20 0.38
CHUK O15111 1/20 0.38
PDE2A O00408 1/20 0.37
PDE7A Q13946 1/20 0.37
LCK P06239 2/20 0.36
KIT P10721 2/20 0.36
SRC P12931 2/20 0.36
KDR P35968 1/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
KIF11 P52732 2/20 0.36
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS2 P35354 2/20 0.35
ABL1 P00519 1/20 0.34
PDGFRA P16234 1/20 0.34
TEK Q02763 1/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL15471706 0.84 CYP19A1 (0.39) CYP19A1ALDH1A1
SCHEMBL794257 0.81 MAPT (0.41) CYP19A1
SCHEMBL807891 0.79 G6PD (0.43) DDR1CHUKLCKKITSRC
SCHEMBL807868 0.74 MAPK14 (0.45) KITKDM4EABL1PDGFRA
SCHEMBL6656027 0.74 CYP11B1 (0.42) PDE10APDE2APDE7ALCKKIT
SCHEMBL15467948 0.73 G6PD (0.37) DDR1LCKKITSRCKDR
SCHEMBL30033019 0.72 DDR1 (0.52) DDR1CHUKKIF11KDM4E
SCHEMBL12160601 0.70 DDR1 (0.46) DDR1KITCDK2KIF11KDM4E
SCHEMBL13587546 0.69 TRPV1 (0.48)
SCHEMBL4383990 0.68 CYP1A2 (0.39) LCKKDM4EALDH1A1

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 5 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-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 PDE10A 1888/4885DDR1 2701/4885CHUK 487/4885

“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.