SCHEMBL1726326

SCHEMBL1726326

Cc1nn(C)c(N)c1-c1c(F)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HRH4 Q9H3N8 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.34
HCRTR1 O43613 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
BRD4 O60885 2/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL29039033 0.89 MAPT (0.51) MAPTPOLBCDK8ACVR1MAPK14
SCHEMBL19743580 0.89 MAPT (0.51) MAPTPOLBCDK8ACVR1MAPK14
SCHEMBL28294976 0.83 MAPT (0.60) MAPTPOLBCDK8ACVR1MAPK14
SCHEMBL27207771 0.83 PKM (0.47) MAPTCDK8ACVR1SMN1; SMN2NPC1
SCHEMBL15639816 0.81 BRD4 (0.45) MAPTPOLBCDK8ACVR1SMN1; SMN2
SCHEMBL29097494 0.81 MAPT (0.50) MAPTPOLBCDK8ACVR1MAPK14
SCHEMBL30151194 0.81 MAPT (0.50) MAPTPOLBCDK8ACVR1MAPK14
SCHEMBL1725188 0.81 MAPT (0.49) MAPTPOLBCDK8ACVR1MAPK14
SCHEMBL15952575 0.79 MAPT (0.39) MAPTPOLBCDK8ACVR1SMN1; SMN2
SCHEMBL1726309 0.79 MAPT (0.39) MAPTCDK8ACVR1SMN1; SMN2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP claimed
US-20140235689-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-21 US disclosed
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP 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-20140235689-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, NOX3 MAPT 3557/4885POLB 3197/4885CDK8 2357/4885

“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.