SCHEMBL3115141

SCHEMBL3115141

CCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 5/20 0.74
▸ KDR P35968 5/20 0.74
▸ EGFR P00533 4/20 0.74
▸ HDAC1 Q13547 6/20 0.68
▸ HDAC8 Q9BY41 4/20 0.68
▸ HDAC6 Q9UBN7 4/20 0.68
▸ PDGFRA P16234 1/20 0.62
▸ ABCB1 P08183 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
Hydrochloric Acid SCHEMBL3455534 0.99 PDGFRB (0.72) PDGFRBKDREGFRHDAC1HDAC8
SCHEMBL19789108 0.88 HDAC1 (0.70) PDGFRBKDREGFRHDAC1HDAC8
SCHEMBL18088122 0.87 HDAC1 (0.75) PDGFRBKDREGFRHDAC1HDAC8
SCHEMBL19789140 0.86 HDAC1 (0.65) PDGFRBKDREGFRHDAC1HDAC8
SCHEMBL22432676 0.86 HDAC1 (0.70) PDGFRBKDREGFRHDAC1HDAC8
SCHEMBL22432623 0.86 HDAC1 (0.70) PDGFRBKDREGFRHDAC1HDAC8
SCHEMBL3106579 0.86 PDGFRB (0.74) PDGFRBKDREGFRHDAC1HDAC8
SCHEMBL3114969 0.85 HDAC1 (0.80) PDGFRBKDREGFRHDAC1HDAC8
Verubulin SCHEMBL29379614 0.85 KDR (1.00) PDGFRBKDREGFRHDAC1HDAC8
Verubulin SCHEMBL2232326 0.85 KDR (1.00) PDGFRBKDREGFRHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258145-B2 Method of treating brain cancer MYREXIS, INC. (US) 2012-09-04 — — US claimed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US claimed
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 claimed
US-20090069350-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-03-12 — — US claimed
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2008-02-28 — — US claimed
EP-1890677-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-02-27 — — EP claimed
US-20070259901-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-11-08 — — US claimed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 — — US claimed
US-20070249640-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 — — US claimed
US-20070249632-A1 PHARMACEUTICAL COMPOSITIONS AND 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
JP-2007524637-A — — 2007-08-30 — — JP claimed
WO-2006138608-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2006-12-28 — — WO claimed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 — — EP claimed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 — — US claimed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 — — WO claimed
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
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 (12 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-20090069350-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP PDGFRB 2687/4885KDR 2970/4885EGFR 1390/4885
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDGFRB 2620/4885KDR 3716/4885EGFR 2915/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDGFRB 2627/4885KDR 3809/4885EGFR 2648/4885
US-20070249640-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP PDGFRB 2687/4885KDR 2970/4885EGFR 1390/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDGFRB 2620/4885KDR 3716/4885EGFR 2915/4885
US-20070249632-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP PDGFRB 2687/4885KDR 2970/4885EGFR 1390/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX PDGFRB 2620/4885KDR 3716/4885EGFR 2915/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDGFRB 2620/4885KDR 3716/4885EGFR 2915/4885
US-20070259901-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP PDGFRB 2687/4885KDR 2970/4885EGFR 1390/4885
US-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF TUBB3, MAP2, MAPT PDGFRB 944/4885KDR 1248/4885EGFR 1574/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDGFRB 2620/4885KDR 3716/4885EGFR 2915/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD PDGFRB 2132/4885KDR 2664/4885EGFR 1253/4885

“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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