Sugi Predict

Sugi Predict / Compounds / SCHEMBL3115209

SCHEMBL3115209

SCHEMBL3115209

COc1ccc(N(C)c2nc(Cl)nc3cccc(C)c23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.67
▸ EGFR P00533 3/20 0.67
▸ PDGFRB P09619 3/20 0.67
▸ TUBB3 Q13509 7/20 0.57
▸ TUBB4A P04350 6/20 0.57
▸ TUBB P07437 6/20 0.57
▸ TUBA3C P0DPH7 6/20 0.57
▸ TUBA1B P68363 6/20 0.57
▸ TUBA4A P68366 6/20 0.57
▸ TUBB4B P68371 6/20 0.57
▸ TUBB2A Q13885 6/20 0.57
▸ TUBB8 Q3ZCM7 6/20 0.57
▸ TUBA3E Q6PEY2 6/20 0.57
▸ TUBA1A Q71U36 6/20 0.57
▸ TUBA1C Q9BQE3 6/20 0.57
▸ TUBB6 Q9BUF5 6/20 0.57
▸ TUBB2B Q9BVA1 6/20 0.57
▸ TUBB1 Q9H4B7 6/20 0.57
▸ CASP1 P29466 1/20 0.46
▸ CASP14 P31944 1/20 0.46

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
SCHEMBL3110426 0.88 EGFR (0.68) KDREGFRPDGFRBTUBB3TUBB4A
SCHEMBL14375019 0.87 EGFR (0.67) KDREGFRPDGFRBTUBB3TUBB4A
SCHEMBL23576700 0.85 EGFR (0.52) KDREGFRPDGFRB
SCHEMBL30012712 0.85 EGFR (0.52) KDREGFRPDGFRB
SCHEMBL27810915 0.85 TUBB3 (0.55) KDREGFRPDGFRBTUBB3TUBB4A
SCHEMBL2257339 0.80 EGFR (1.00) KDREGFRPDGFRBTUBB3TUBB4A
SCHEMBL3108355 0.80 EGFR (0.67) KDREGFRPDGFRBTUBB3TUBB4A
Hydrochloric Acid SCHEMBL1685084 0.79 EGFR (0.97) KDREGFRPDGFRBTUBB3TUBB4A
SCHEMBL3126100 0.77 EGFR (0.53) KDREGFRPDGFRBTUBB3TUBB4A
SCHEMBL3112156 0.75 KDR (0.66) KDREGFRPDGFRBTUBB3TUBB4A

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 58 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-20080051398-A1 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2008-02-28 — — 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
EP-1833511-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2007-09-19 — — EP 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-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 — — 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-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
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 (8 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 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3809/4885EGFR 2648/4885PDGFRB 2627/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD KDR 2664/4885EGFR 1253/4885PDGFRB 2132/4885

“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.