Sugi Predict

Sugi Predict / Compounds / SCHEMBL3121016

SCHEMBL3121016

SCHEMBL3121016

COc1ccc(N(C)c2nc(CCl)nc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.70
▸ PDGFRB P09619 2/20 0.70
▸ KDR P35968 2/20 0.70
▸ CASP1 P29466 1/20 0.59
▸ CASP14 P31944 1/20 0.59
▸ CASP3 P42574 1/20 0.59
▸ CASP2 P42575 1/20 0.59
▸ CASP4 P49662 1/20 0.59
▸ CASP5 P51878 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ CASP9 P55211 1/20 0.59
▸ CASP6 P55212 1/20 0.59
▸ CASP8 Q14790 1/20 0.59
▸ CASP12 Q6UXS9 1/20 0.59
▸ CASP10 Q92851 1/20 0.59
▸ TUBB4A P04350 1/20 0.54
▸ TUBB P07437 1/20 0.54
▸ TUBA3C P0DPH7 1/20 0.54
▸ TUBA1B P68363 1/20 0.54
▸ TUBA4A P68366 1/20 0.54

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 SCHEMBL3109775 0.99 EGFR (0.69) EGFRPDGFRBKDRCASP1CASP14
Verubulin SCHEMBL3115240 0.94 KDR (0.80) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3110573 0.88 EGFR (0.70) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL2262157 0.88 PDE5A (0.59) EGFRPDGFRBKDRPDE5A
SCHEMBL3114980 0.88 PDGFRB (0.54) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3119165 0.87 EGFR (0.68) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3119181 0.87 EGFR (0.68) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3115922 0.87 EGFR (0.68) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL1685034 0.87 EGFR (0.68) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3118743 0.86 EGFR (0.53) EGFRPDGFRBKDRCASP1CASP14

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 59 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-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-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
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 — — WO 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-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-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 — — US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 — — US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 — — US disclosed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 — — WO 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 (6 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 EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX EGFR 3147/4885PDGFRB 2783/4885KDR 3722/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD EGFR 1253/4885PDGFRB 2132/4885KDR 2664/4885

“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.