SCHEMBL3117698

SCHEMBL3117698

Cc1nc(Nc2ccncc2)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.66
CYP1A2 P05177 8/20 0.66
CYP3A4 P08684 8/20 0.66
ALDH1A1 P00352 7/20 0.66
HSD17B10 Q99714 6/20 0.66
ALOX15 P16050 3/20 0.66
CLK4 Q9HAZ1 3/20 0.66
TGFBR1 P36897 4/20 0.66
MAPK14 Q16539 2/20 0.66
KDM4E B2RXH2 7/20 0.62
RXFP1 Q9HBX9 1/20 0.62
HPGD P15428 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
POLB P06746 2/20 0.61
PDE5A O76074 1/20 0.61
CYP2D6 P10635 7/20 0.59
CYP2C19 P33261 7/20 0.59
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
MAPT P10636 5/20 0.59

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
SCHEMBL3974545 0.90 NPY5R (0.66) LMNACYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL3123061 0.83 MEN1 (0.67) LMNAALDH1A1POLBKMT2AMEN1
SCHEMBL16404470 0.82 ABCG2 (0.61) KDM4ESMN1; SMN2PDE5AKMT2AMEN1
SCHEMBL3121675 0.81 ALDH1A1 (0.66) LMNACYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL2258103 0.80 KDM1A (0.71) LMNACYP1A2CYP3A4KDM4EHPGD
SCHEMBL3108501 0.80 NPY5R (0.72) LMNAALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL3110763 0.80 MAPT (0.54) LMNACYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL2257123 0.80 KDM1A (0.64) LMNAALDH1A1TGFBR1MAPK14KDM4E
SCHEMBL14262810 0.80 TGFBR1 (0.61) LMNACYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL414358 0.80 CYP1A2 (1.00) LMNACYP1A2CYP3A4ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
CN-1984660-B 4-arylamino-quinazolines as activators of aspartic acid specificity cysteine protease and inducers of apoptosis MYRIAD GENETICS INC 2010-12-15 CN disclosed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
CN-1984660-A 4-arylamino-quinazolines as activators of aspartic acid specificity cysteine protease and inducers of apoptosis MYRIAD GENETICS INC (US) 2007-06-20 CN disclosed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP disclosed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 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 (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-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX LMNA 1197/4885CYP1A2 2087/4885CYP3A4 975/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX LMNA 940/4885CYP1A2 2066/4885CYP3A4 1067/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX LMNA 1197/4885CYP1A2 2087/4885CYP3A4 975/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX LMNA 1197/4885CYP1A2 2087/4885CYP3A4 975/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX LMNA 1197/4885CYP1A2 2087/4885CYP3A4 975/4885

“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.