SCHEMBL3580458

SCHEMBL3580458

NNc1ccc(Nc2cccc(Cl)c2)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
ROCK1 Q13464 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 5/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
EGFR P00533 2/20 0.47
ERBB3 P21860 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRNB4 P30926 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
SCHEMBL3595694 0.84 ALDH1A1 (0.68) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL3953114 0.82 MAPT (0.59) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL15689068 0.81 HDAC6 (0.50) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL3951468 0.81 ABCB1 (0.54) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL13348855 0.79 MAPT (0.60) HDAC6MAPTKMT2AMEN1MAPK1
SCHEMBL8024017 0.78 DGAT1 (0.61) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL10535215 0.77 ALDH1A1 (0.62) ROCK1HDAC6MAPTGAAALDH1A1
SCHEMBL3951214 0.76 AHR (0.55) HTR3EHTR3BHTR3AROCK1HTR3D
SCHEMBL7823 0.75
SCHEMBL10983245 0.75 GAA (0.47) MAPTGAAALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481538-B2 Heterocyclic inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8481538-B2 Heterocyclic inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8481538-B2 Heterocyclic inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
US-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
EP-2066676-A1 HETEROCYCLIC INHIBITORS OF c-MET AND USES THEREOF Vertex Pharmaceuticals, Inc. (US) 2009-06-10 EP disclosed
WO-2008036272-A1 HETEROCYCLIC INHIBITORS OF c-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-27 WO disclosed
WO-2008036272-A1 HETEROCYCLIC INHIBITORS OF c-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-27 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-20100144739-A1 HETEROCYCLIC INHIBITORS OF C-MET AND USES THEREOF MET, RET, ABL1 HTR3E 1091/4885HTR3B 1159/4885HTR3A 1721/4885

“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.