Sugi Predict

Sugi Predict / Compounds / SCHEMBL3119082

SCHEMBL3119082

SCHEMBL3119082

Clc1nc(Nc2ccc(Oc3ccccc3)cc2)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.63
▸ TEK Q02763 1/20 0.63
▸ PIN1 Q13526 1/20 0.60
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MAPT P10636 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ NPY5R Q15761 4/20 0.54
▸ ABCG2 Q9UNQ0 5/20 0.52
▸ PDE5A O76074 2/20 0.52
▸ ERBB2 P04626 1/20 0.52
▸ PTGS2 P35354 1/20 0.49
▸ APP P05067 1/20 0.49
▸ ABCC1 P33527 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL3119002 0.87 NPY5R (0.71) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL2257238 0.86 NPY5R (0.66) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL30960995 0.86 NPY5R (0.66) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL8901627 0.84 NPY5R (0.72) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL3108340 0.83 KMT2A (0.65) MEN1KMT2AMAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL8891614 0.83 NPY5R (0.70) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL15522203 0.82 EGFR (0.70) KDRABCG2
SCHEMBL2231403 0.82 NPY5R (0.68) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL27610153 0.82 ABCG2 (0.67) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL3117103 0.81 KMT2A (0.52) KDRTEKMEN1KMT2AMAPT

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 14 patents. 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-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-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US disclosed
US-7618975-B2 4-arylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYRIAD PHARMACEUTICALS, INC. (US) 2009-11-17 — — US disclosed
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-14 — — US disclosed
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 — — US disclosed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 — — 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
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 (10 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 KDR 3716/4885TEK 3371/4885PIN1 359/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX KDR 3722/4885TEK 3167/4885PIN1 325/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3809/4885TEK 3252/4885PIN1 311/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885TEK 3371/4885PIN1 359/4885
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885TEK 3371/4885PIN1 359/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885TEK 3371/4885PIN1 359/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX KDR 3716/4885TEK 3371/4885PIN1 359/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885TEK 3371/4885PIN1 359/4885
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885TEK 3371/4885PIN1 359/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885TEK 3371/4885PIN1 359/4885

“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.