SCHEMBL3108501

SCHEMBL3108501

COc1ccc(Nc2nc(C)nc3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.72
ABCG2 Q9UNQ0 3/20 0.71
KMT2A Q03164 9/20 0.69
MEN1 O00255 8/20 0.69
PTGS2 P35354 1/20 0.66
ABCC1 P33527 1/20 0.64
KDM1A O60341 2/20 0.64
POLB P06746 2/20 0.64
RAD52 P43351 1/20 0.64
GFER P55789 1/20 0.64
ATM Q13315 1/20 0.63
MERTK Q12866 1/20 0.63
MAPT P10636 4/20 0.62
TP53 P04637 2/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 3/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 1/20 0.62

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 0.86 NPY5R (0.66) NPY5RABCG2KMT2AMEN1PTGS2
SCHEMBL2590796 0.85 NPY5R (0.97) NPY5RABCG2KMT2AMEN1PTGS2
SCHEMBL3113569 0.85 KMT2A (0.64) NPY5RABCG2KMT2AMEN1PTGS2
SCHEMBL3114887 0.85 KMT2A (0.67) NPY5RABCG2KMT2AMEN1POLB
SCHEMBL16404473 0.84 NPY5R (0.89) NPY5RABCG2KMT2AMEN1PTGS2
Hydrochloric Acid SCHEMBL8897702 0.84 NPY5R (0.94) NPY5RABCG2KMT2AMEN1PTGS2
SCHEMBL8909187 0.84 NPY5R (1.00) NPY5RABCG2KMT2AMEN1PTGS2
SCHEMBL3119002 0.84 NPY5R (0.71) NPY5RABCG2KMT2AMEN1PTGS2
SCHEMBL3109689 0.83 NPY5R (0.52) NPY5RABCG2KMT2AMEN1PTGS2
SCHEMBL16404494 0.83 ABCG2 (0.95) NPY5RABCG2KMT2AMEN1ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-09-17 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-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
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-20070244113-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
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP disclosed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 US 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 (7 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 NPY5R 4665/4885ABCG2 1381/4885KMT2A 3878/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX NPY5R 4462/4885ABCG2 1441/4885KMT2A 4023/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NPY5R 4665/4885ABCG2 1381/4885KMT2A 3878/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NPY5R 4665/4885ABCG2 1381/4885KMT2A 3878/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX NPY5R 4665/4885ABCG2 1381/4885KMT2A 3878/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NPY5R 4665/4885ABCG2 1381/4885KMT2A 3878/4885
US-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF TUBB3, MAP2, MAPT NPY5R 2890/4885ABCG2 3523/4885KMT2A 3075/4885

“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.