SCHEMBL3595694

SCHEMBL3595694

Clc1cccc(Nc2ccc(Cl)nn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
MAPT P10636 5/20 0.62
HDAC6 Q9UBN7 1/20 0.53
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
ROCK1 Q13464 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
EGFR P00533 2/20 0.48
ERBB3 P21860 1/20 0.47
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
GAA P10253 2/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL3580458 0.84 HTR3E (0.53) ALDH1A1MAPTHDAC6HTR3EHTR3B
SCHEMBL3951468 0.83 ABCB1 (0.54) ALDH1A1MAPTHDAC6HTR3EHTR3B
SCHEMBL15689068 0.83 HDAC6 (0.50) ALDH1A1MAPTHDAC6HTR3EHTR3B
SCHEMBL1319274 0.81 ALDH1A1 (1.00) ALDH1A1MAPTHDAC6KMT2AMEN1
SCHEMBL3953114 0.80 MAPT (0.59) ALDH1A1MAPTHDAC6HTR3EHTR3B
SCHEMBL8024017 0.79 DGAT1 (0.61) ALDH1A1MAPTHDAC6HTR3EHTR3B
SCHEMBL3951214 0.77 AHR (0.55) HDAC6HTR3EHTR3BHTR3AROCK1
SCHEMBL1686631 0.76 FADS1 (0.59) ALDH1A1MAPTHTR3EHTR3BHTR3A
SCHEMBL3951733 0.75 MEN1 (0.63) HDAC6HTR3EHTR3BHTR3AROCK1
SCHEMBL22655182 0.74 ALDH1A1 (0.66) ALDH1A1MAPTHDAC6KMT2AMEN1

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 ALDH1A1 1383/4885MAPT 3420/4885HDAC6 1845/4885

“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.