SCHEMBL14844909

SCHEMBL14844909

Cc1cnn2c(-c3ccc(F)cc3)coc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.42
STAT1 P42224 1/20 0.41
RAB9A P51151 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
POLB P06746 2/20 0.37
EGLN2 Q96KS0 1/20 0.36
FLT3 P36888 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
FYN P06241 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL16009294 0.80 KDM4E (0.38) CYP17A1STAT1RAB9AMEN1KMT2A
SCHEMBL12616921 0.71
SCHEMBL14844916 0.69 CYP17A1 (0.44) CYP17A1RAB9AMEN1KMT2ANPC1
SCHEMBL6624792 0.65 MAPK14 (0.40) MAPTPTGS1PTGS2MAPK14
SCHEMBL16009419 0.65 MAPK14 (0.39) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL3489735 0.62 CYP1A2 (0.53) CYP17A1RAB9ANPC1KDM4EMAPT
SCHEMBL5540418 0.61 PDE4B (0.50) RAB9AKMT2ANPC1SMN1; SMN2PDE4B
SCHEMBL14077014 0.60 GAA (0.54) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL17086632 0.59 MEN1 (0.50) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL3079689 0.59 FLT3 (0.44) CYP17A1MEN1KMT2AKDM4EMAPT

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
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
US-9023844-B2 Heterocyclylpyri (mi) dinylpyrazole as fungicidals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-05 US disclosed
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2763987-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS Bayer Intellectual Property GmbH (DE) 2014-08-13 EP disclosed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 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-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS CCNY, NQO2, H1-0 CYP17A1 1610/4885STAT1 2518/4885RAB9A 1915/4885

“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.