SCHEMBL2513073

SCHEMBL2513073

COC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 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
SCHEMBL23958825 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL7566122 0.84 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL7562908 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL30006707 0.83 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL23930037 0.83 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL7569718 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL23958828 0.82 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL25686480 0.81 LMNA (0.49) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL5264429 0.80 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL2579354 0.78 LMNA (0.49) NPC1RAB9ASMN1; SMN2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562158-A1 Processes for the preparation of n-heteroaryl-N-aryl-amines by reacting an N-aryl carbamic acid ester with a halo-heteroaryl and analogous processes Vertex Pharmaceuticals Incorporated (US) 2013-02-27 EP disclosed
EP-2562158-A1 Processes for the preparation of n-heteroaryl-N-aryl-amines by reacting an N-aryl carbamic acid ester with a halo-heteroaryl and analogous processes Vertex Pharmaceuticals Incorporated (US) 2013-02-27 EP disclosed
EP-1603878-B1 PROCESSES FOR THE PREPARATION OF N-HETEROARYL-N-ARYL-AMINES BY REACTING AN N-ARYL CARBAMIC ACID ESTER WITH A HALO-HETEROARYL AND ANALOGOUS PROCESSES VERTEX PHARMA (US) 2013-01-02 EP disclosed
EP-1603878-B1 PROCESSES FOR THE PREPARATION OF N-HETEROARYL-N-ARYL-AMINES BY REACTING AN N-ARYL CARBAMIC ACID ESTER WITH A HALO-HETEROARYL AND ANALOGOUS PROCESSES VERTEX PHARMA (US) 2013-01-02 EP disclosed
US-20120157684-A1 PROCESSES FOR THE FACILE SYNTHESIS OF DIARYL AMINES AND ANALOGUES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 US disclosed
US-20120157684-A1 PROCESSES FOR THE FACILE SYNTHESIS OF DIARYL AMINES AND ANALOGUES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 US disclosed
US-20120157684-A1 PROCESSES FOR THE FACILE SYNTHESIS OF DIARYL AMINES AND ANALOGUES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 US disclosed
US-8034950-B2 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-11 US disclosed
US-8034950-B2 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-11 US disclosed
US-8034950-B2 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-11 US disclosed
CN-101723891-A Processes for the preparation of N-heteroaryl-N-aryl-amines by reacting an N-aryl carbamic acid ester with a halo-heteroaryl and analogous processes VERTEX PHARMA 2010-06-09 CN disclosed
CN-100579965-C Process for preparing N-heteroaryl-N-arylamines by reacting N-aryl carbamates with haloheteroaryls and analogous processes VERTEX PHARMA CO LTD 2010-01-13 CN disclosed
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-07-26 US disclosed
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-07-26 US disclosed
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-07-26 US disclosed
US-7115746-B2 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-03 US disclosed
CN-1761653-A Process for preparing N-heteroaryl-N-arylamines by reacting N-aryl carbamates with haloheteroaryls and analogous processes VERTEX PHARMA (US) 2006-04-19 CN disclosed
EP-1603878-A1 PROCESSES FOR THE PREPARATION OF N-HETEROARYL-N-ARYL-AMINES BY REACTING AN N-ARYL CARBAMIC ACID ESTER WITH A HALO-HETEROARYL AND ANALOGOUS PROCESSES Vertex Pharmaceuticals Incorporated (US) 2005-12-14 EP disclosed
US-20040230058-A1 Processes for the facile synthesis of diaryl amines and analogues thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 US disclosed
WO-2004072038-A1 PROCESSES FOR THE PREPARATION OF N-HETEROARYL-N-ARYL-AMINES BY REACTING AN N-ARYL CARBAMIC ACID ESTER WITH A HALO-HETEROARYL AND ANALOGOUS PROCESSES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-08-26 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-20040230058-A1 Processes for the facile synthesis of diaryl amines and analogues thereof ABL1, PNMT, MAOA NPC1 2399/4885RAB9A 1672/4885SMN1; SMN2 3716/4885
US-20120157684-A1 PROCESSES FOR THE FACILE SYNTHESIS OF DIARYL AMINES AND ANALOGUES THEREOF ABL1, PNMT, MAOA NPC1 2399/4885RAB9A 1672/4885SMN1; SMN2 3716/4885
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof ABL1, PNMT, MAOA NPC1 2399/4885RAB9A 1672/4885SMN1; SMN2 3716/4885

“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.