SCHEMBL16202045

SCHEMBL16202045

Cc1cc(Oc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.62
MAPK14 Q16539 7/20 0.62
TNNI3K Q59H18 7/20 0.62
BRAF P15056 6/20 0.62
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK1 P28482 1/20 0.46
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL4244096 0.89 L3MBTL1 (0.57) KDRMAPK14TNNI3KBRAFMAPT
SCHEMBL12825474 0.85 KDR (0.62) KDRMAPK14TNNI3KBRAFMAPT
SCHEMBL7780979 0.84 ALDH1A1 (0.52) KDRMAPK14TNNI3KBRAFMAPT
SCHEMBL7783065 0.82 ALDH1A1 (0.54) KDRMAPK14TNNI3KBRAFMAPT
SCHEMBL17772777 0.82 MAPT (0.61) KDRMAPK14TNNI3KBRAFMAPT
SCHEMBL8773803 0.81 ALDH1A1 (0.53) KDRMAPK14TNNI3KBRAFMAPT
SCHEMBL7775883 0.81 MAPT (0.48) KDRMAPK14TNNI3KBRAFMAPT
Hydrochloric Acid SCHEMBL7776436 0.81 MAPT (0.48) KDRMAPK14TNNI3KBRAFMAPT
SCHEMBL17720569 0.80 MAP4K4 (0.52) KDRMAPK14TNNI3KBRAFMAPT
SCHEMBL17623901 0.79 ALDH1A1 (0.53) MAPTALDH1A1POLBL3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB KDR 4492/4885MAPK14 3910/4885TNNI3K 2219/4885

“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.