SCHEMBL3118973

SCHEMBL3118973

COc1ccc(N(C)c2nc(C)nc3sccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.60
▸ EGFR P00533 5/20 0.60
▸ PDGFRB P09619 5/20 0.60
▸ PDGFRA P16234 2/20 0.57
▸ TUBB3 Q13509 6/20 0.51
▸ ABCB1 P08183 4/20 0.51
▸ TUBB4A P04350 2/20 0.51
▸ TUBB P07437 2/20 0.51
▸ TUBA3C P0DPH7 2/20 0.51
▸ TUBA1B P68363 2/20 0.51
▸ TUBA4A P68366 2/20 0.51
▸ TUBB4B P68371 2/20 0.51
▸ TUBB2A Q13885 2/20 0.51
▸ TUBB8 Q3ZCM7 2/20 0.51
▸ TUBA3E Q6PEY2 2/20 0.51
▸ TUBA1A Q71U36 2/20 0.51
▸ TUBA1C Q9BQE3 2/20 0.51
▸ TUBB6 Q9BUF5 2/20 0.51
▸ TUBB2B Q9BVA1 2/20 0.51
▸ TUBB1 Q9H4B7 2/20 0.51

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 SCHEMBL5579328 0.99 KDR (0.59) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL18540841 0.81 KDR (0.60) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL5579174 0.80 RAB9A (0.62) KDREGFRPDGFRBTUBB3TUBB4A
SCHEMBL18540789 0.78 PDGFRB (0.67) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL3123331 0.78 TUBB3 (0.74) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL5334199 0.77 TUBB3 (0.53) KDREGFRPDGFRBPDGFRATUBB3
Verubulin SCHEMBL29379614 0.75 KDR (1.00) KDREGFRPDGFRBPDGFRATUBB3
Verubulin SCHEMBL2232326 0.75 KDR (1.00) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL5579213 0.75 KDR (0.52) KDREGFRPDGFRBPDGFRATUBB3
Verubulin SCHEMBL29505369 0.74 KDR (0.97) KDREGFRPDGFRBPDGFRATUBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US claimed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US claimed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 — — US claimed
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 — — US disclosed
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-10-29 — — US disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 — — US disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 — — US disclosed
WO-2017031176-A1 MONOCYCLIC, THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-02-23 — — WO disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-02-23 — — US disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 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-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-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US disclosed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 — — US disclosed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 — — US disclosed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 — — US disclosed
WO-2007056214-A2 N-ALKYL-N-ARYL-THIENOPYRIMIDIN-R-AMINES AND USES THEREOF CYTOVIA, INC (US) 2007-05-18 — — 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX KDR 3722/4885EGFR 3147/4885PDGFRB 2783/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3809/4885EGFR 2648/4885PDGFRB 2627/4885
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 KDR 2253/4885EGFR 1334/4885PDGFRB 276/4885
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO KDR 2597/4885EGFR 2600/4885PDGFRB 1782/4885
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TPX2, TYMS KDR 3311/4885EGFR 3522/4885PDGFRB 2239/4885
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same CYP4F3, TYMS, DPYD KDR 1696/4885EGFR 1667/4885PDGFRB 1108/4885

“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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