SCHEMBL1610106

SCHEMBL1610106

CCOC(=O)c1cccnc1-c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.44
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
TGFBR1 P36897 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
SLC34A1 Q06495 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5748303 0.90 POLB (0.47) POLBNPC1LMNATSHRL3MBTL1
SCHEMBL4138303 0.86 ALPL (0.49) POLBTSHRL3MBTL1TDP1MAPT
SCHEMBL3711859 0.83 TDP1 (0.41) POLBL3MBTL1TDP1MAPTKDM4E
SCHEMBL12712571 0.81 PTAFR (0.43) POLBLMNATDP1MAPTKDM4E
SCHEMBL10026437 0.81 TSHR (0.51) POLBNPC1TSHRL3MBTL1TDP1
SCHEMBL2346128 0.80 KDM4E (0.59) LMNATSHRL3MBTL1TDP1MAPT
SCHEMBL19894133 0.79 TSHR (0.51) POLBNPC1LMNATSHRL3MBTL1
SCHEMBL1608842 0.79 TSHR (0.49) POLBNPC1TSHRL3MBTL1TDP1
SCHEMBL15324278 0.79 MAPK11 (0.53) LMNATDP1MAPTHTTJAK2
SCHEMBL30658173 0.79 MAPK11 (0.53) LMNATDP1MAPTHTTJAK2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461345-B2 Processes for producing phenyl-6-(1-(phenyl)ureido)nicotinamides) VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-8461345-B2 Processes for producing phenyl-6-(1-(phenyl)ureido)nicotinamides) VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US 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
US-20120316345-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-13 US disclosed
US-20120316345-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-13 US disclosed
US-8273896-B2 Processes for producing phenyl-6-(1-(phenyl)ureido)nicotinamides VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-25 US disclosed
US-8273896-B2 Processes for producing phenyl-6-(1-(phenyl)ureido)nicotinamides VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-25 US disclosed
US-8273896-B2 Processes for producing phenyl-6-(1-(phenyl)ureido)nicotinamides VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-25 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-20100234606-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-16 US disclosed
US-20100234606-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-16 US disclosed
US-20100234606-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-16 US disclosed
WO-2010093889-A2 SOLID FORMS OF 2-(2, 4-DIFLUOROPHENYL)-6-(1-(2,6-DIFLUOROPHENYL)UREIDO)NICOTINAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 WO disclosed
WO-2010093889-A2 SOLID FORMS OF 2-(2, 4-DIFLUOROPHENYL)-6-(1-(2,6-DIFLUOROPHENYL)UREIDO)NICOTINAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 WO disclosed
WO-2010093890-A2 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 WO disclosed
WO-2010093890-A2 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 WO disclosed
WO-2010038428-A1 ALTERNATIVE AGENT TO TAXANE ANTI-CANCER AGENT 武田薬品工業株式会社 (JP) 2010-04-08 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120157684-A1 PROCESSES FOR THE FACILE SYNTHESIS OF DIARYL AMINES AND ANALOGUES THEREOF ABL1, PNMT, MAOA POLB 1356/4885NPC1 2399/4885LMNA 2302/4885
US-20100234606-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) MAPK1, NADK, NAMPT POLB 2097/4885NPC1 1612/4885LMNA 1944/4885
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof ABL1, PNMT, MAOA POLB 1356/4885NPC1 2399/4885LMNA 2302/4885
US-20120316345-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) MAPK1, NADK, NAMPT POLB 2097/4885NPC1 1612/4885LMNA 1944/4885

“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.