SCHEMBL3119743

SCHEMBL3119743

COc1ccc(N(C)c2nc(N)nc3cccc(CCO)c23)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 7/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ PAK1 Q13153 1/20 0.39
▸ CAMK2B Q13554 1/20 0.39
▸ CAMK2G Q13555 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ TAOK1 Q7L7X3 1/20 0.39
▸ ABCB1 P08183 2/20 0.36
▸ TUBB3 Q13509 2/20 0.36
▸ DCPS Q96C86 2/20 0.36
▸ OXTR P30559 2/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL3120807 0.86 TUBB3 (0.49) DHFRABCB1TUBB3EGFRPDGFRB
SCHEMBL6029358 0.78 EGFR (0.50) ABCB1TUBB3OXTREGFRPDGFRB
SCHEMBL3115073 0.76 TUBB3 (0.50) DHFRABCB1TUBB3EGFRPDGFRB
SCHEMBL3112443 0.75 TUBB3 (0.49) DHFRABCB1TUBB3EGFRPDGFRB
SCHEMBL3122059 0.75 TUBB3 (0.49) DHFRABCB1TUBB3EGFRPDGFRB
SCHEMBL3107648 0.74 TUBB3 (0.48) DHFRCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL3118718 0.74 DHFR (0.52) DHFRTUBB3DCPSEGFRPDGFRB
SCHEMBL3114838 0.74 TUBB3 (0.47) DHFRCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL3126711 0.71 TUBB3 (0.45) DHFRCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL3119122 0.71 TUBB3 (0.46) DHFRCSNK1A1CSNK1DPRKCDPAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-14 — — US claimed
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 — — US claimed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 — — US claimed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 — — US claimed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 — — US claimed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 — — US claimed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 — — US claimed
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-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 DHFR 464/4885CSNK1A1 1829/4885CSNK1D 2744/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX DHFR 426/4885CSNK1A1 1690/4885CSNK1D 2745/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX DHFR 482/4885CSNK1A1 1755/4885CSNK1D 2663/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX DHFR 464/4885CSNK1A1 1829/4885CSNK1D 2744/4885
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX DHFR 464/4885CSNK1A1 1829/4885CSNK1D 2744/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX DHFR 464/4885CSNK1A1 1829/4885CSNK1D 2744/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX DHFR 464/4885CSNK1A1 1829/4885CSNK1D 2744/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX DHFR 464/4885CSNK1A1 1829/4885CSNK1D 2744/4885
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX DHFR 464/4885CSNK1A1 1829/4885CSNK1D 2744/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX DHFR 464/4885CSNK1A1 1829/4885CSNK1D 2744/4885

“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.

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