SCHEMBL10026437

SCHEMBL10026437

CCOC(=O)c1ccc(C)nc1-c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PRKD3 O94806 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL1608842 0.88 TSHR (0.49) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL4762995 0.81 MAPK14 (0.58) MEN1KMT2AL3MBTL1TDP1PRKD3
SCHEMBL1610106 0.81 POLB (0.47) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL2518297 0.81 TSHR (0.43) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL9355979 0.80 TSHR (0.55) TSHRMEN1KMT2AMAPTHPGD
SCHEMBL4428869 0.80 TSHR (0.57) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL10060808 0.79 PRKD3 (0.54) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL367075 0.79 TSHR (0.57) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL12712568 0.78 MAPK14 (0.74) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL23023732 0.76 NPC1 (0.41) TSHRKMT2AMAPTNPC1RAB9A

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-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-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-20110086891-A1 Solid Forms of 2-(2,4-Difluorophenyl)-6-(1-(2,6-Difluorophenyl)Ureido)Nicotinamide) VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-14 US disclosed
US-20100234606-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-16 US disclosed
WO-2010093890-A2 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) 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
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 (5 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 TSHR 4555/4885MEN1 150/4885KMT2A 375/4885
US-20100234606-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) MAPK1, NADK, NAMPT TSHR 4315/4885MEN1 3236/4885KMT2A 2811/4885
US-20110086891-A1 Solid Forms of 2-(2,4-Difluorophenyl)-6-(1-(2,6-Difluorophenyl)Ureido)Nicotinamide) NNT, NAMPT, NNMT TSHR 3467/4885MEN1 1272/4885KMT2A 1076/4885
US-20070173649-A1 Processes for the facile synthesis of diaryl amines and analogues thereof ABL1, PNMT, MAOA TSHR 4555/4885MEN1 150/4885KMT2A 375/4885
US-20120316345-A1 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) MAPK1, NADK, NAMPT TSHR 4315/4885MEN1 3236/4885KMT2A 2811/4885

“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.