SCHEMBL433546

SCHEMBL433546

Cc1c(C(=O)Nc2ccnnc2)cnn1CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 1/20 0.44
LRRK2 Q5S007 5/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NAMPT P43490 1/20 0.41
NPC1 O15118 7/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
IKBKE Q14164 2/20 0.40
TBK1 Q9UHD2 2/20 0.40
CD38 P28907 1/20 0.39
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PKM P14618 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL19768885 0.79 RAB9A (0.44) RAB9ASMN1; SMN2LMNALRRK2ALDH1A1
SCHEMBL13731080 0.79 NAMPT (0.41) RAB9ASMN1; SMN2LRRK2ALDH1A1NAMPT
SCHEMBL9901418 0.78 ALDH1A1 (0.44) RAB9ASMN1; SMN2LMNAALDH1A1GAA
SCHEMBL15472431 0.78 NAMPT (0.44) RAB9ASMN1; SMN2LRRK2NAMPTNPC1
SCHEMBL1841864 0.76 ALDH1A1 (0.44) RAB9ASMN1; SMN2LMNAALDH1A1GAA
SCHEMBL15472433 0.75 NAMPT (0.44) RAB9ASMN1; SMN2LRRK2NAMPTNPC1
SCHEMBL1304161 0.73 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2LMNAALDH1A1GAA
SCHEMBL30880982 0.73 NAMPT (0.43) RAB9ASMN1; SMN2LRRK2NAMPTNPC1
SCHEMBL15474199 0.73 NAMPT (0.41) RAB9ASMN1; SMN2LRRK2ALDH1A1GAA
SCHEMBL20604093 0.73 WNT3A (0.59) RAB9ASMN1; SMN2LMNANPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9375008-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2016-06-28 US disclosed
US-9247745-B2 Substituted pyridazines for controlling invertebrate pests BASF SE (DE) 2016-02-02 US disclosed
EP-2342196-B1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2015-07-29 EP disclosed
EP-2595981-B1 NOVEL HETARYL (THIO)CARBOXAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2014-12-10 EP disclosed
US-20140142111-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2014-05-22 US disclosed
US-8729083-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2014-05-20 US disclosed
EP-2595981-A1 NOVEL HETARYL (THIO)CARBOXAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-05-29 EP disclosed
US-20130116264-A1 Novel Hetaryl (thio)carboxamide Compounds for Controlling Invertebrate Pests BASF SE (DE) 2013-05-09 US disclosed
WO-2012010534-A1 NOVEL HETARYL (THIO)CARBOXAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-01-26 WO disclosed
US-20110269770-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2011-11-03 US disclosed
EP-2342196-A1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-07-13 EP disclosed
WO-2010034737-A1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2010-04-01 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 (3 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-20130116264-A1 Novel Hetaryl (thio)carboxamide Compounds for Controlling Invertebrate Pests TH, CYP8B1, ETFA RAB9A 1885/4885SMN1; SMN2 4341/4885LMNA 3119/4885
US-20110269770-A1 Pyrazole Compounds for Controlling Invertebrate Pests GRIN2C, GRIN2D, NR2C2 RAB9A 1969/4885SMN1; SMN2 3228/4885LMNA 1973/4885
US-20140142111-A1 Pyrazole Compounds for Controlling Invertebrate Pests NOX3, F3, F2 RAB9A 2590/4885SMN1; SMN2 3213/4885LMNA 3939/4885

“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.