SCHEMBL16202086

SCHEMBL16202086

Cc1cn(-c2ccc(F)cc2F)nc1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 4/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.41
OPRM1 P35372 1/20 0.41
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDK2 Q15119 1/20 0.39
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
GRM5 P41594 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 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
SCHEMBL6052157 0.79 PDK2 (0.42) MEN1KMT2AGAAHTTALDH1A1
SCHEMBL2611844 0.74 NPC1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL16201982 0.74 GAA (0.53) MEN1KMT2AGAAHTTALDH1A1
SCHEMBL7852480 0.73 CYP11B1 (0.43) MEN1KMT2AGAAHTTALDH1A1
SCHEMBL16202089 0.73 KDM4E (0.46) HTTALDH1A1MAPTTDP1KDM4E
SCHEMBL10264757 0.72 TDO2 (0.44) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL16202018 0.72 PSEN1 (0.41) MEN1KMT2AGAAHTTALDH1A1
SCHEMBL15657380 0.71 CNR2 (0.39) MEN1KMT2AGAAHTTALDH1A1
SCHEMBL16983104 0.70 MAPK14 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL717229 0.70 ALDH1A1 (0.40) KMT2AHTTALDH1A1TDP1KDM4E

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-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 MEN1 2118/4885KMT2A 3783/4885GAA 244/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 MEN1 3302/4885KMT2A 3043/4885GAA 192/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 MEN1 3302/4885KMT2A 3043/4885GAA 192/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MEN1 2720/4885KMT2A 3197/4885GAA 633/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB MEN1 2720/4885KMT2A 3197/4885GAA 633/4885

“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.