SCHEMBL17528558

SCHEMBL17528558

COc1cc(C)c(N(C)c2nc(C)nc3c2ccn3C(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.35
EGFR P00533 5/20 0.34
PDGFRB P09619 5/20 0.34
KDR P35968 5/20 0.34
PDGFRA P16234 3/20 0.34
BRD4 O60885 2/20 0.33
BUB1 O43683 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TLR9 Q9NR96 1/20 0.32
HTR6 P50406 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
AKT1 P31749 1/20 0.31
PDE10A Q9Y233 1/20 0.30
ABCB1 P08183 1/20 0.30
TUBB3 Q13509 1/20 0.30

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
SCHEMBL17528557 0.80 BRD4 (0.37) CRHR1EGFRPDGFRBKDRBRD4
SCHEMBL23458593 0.78 BUB1 (0.34) EGFRKDRBUB1HSP90AA1HSP90AB1
SCHEMBL29838663 0.78 BUB1 (0.34) EGFRKDRBUB1HSP90AA1HSP90AB1
SCHEMBL17528586 0.78 PDGFRB (0.41) CRHR1EGFRPDGFRBKDRPDGFRA
SCHEMBL17528555 0.73 HSP90AA1 (0.41) EGFRKDRBRD4BUB1HSP90AA1
SCHEMBL30292226 0.70 BUB1 (0.40) EGFRKDRBRD4BUB1HSP90AA1
SCHEMBL16409301 0.70 BUB1 (0.40) EGFRKDRBRD4BUB1HSP90AA1
SCHEMBL23329532 0.69 HSP90AA1 (0.48) EGFRKDRBRD4BUB1HSP90AA1
SCHEMBL23458592 0.69 MEN1 (0.32) MEN1KMT2A
SCHEMBL31601053 0.68 HSP90AA1 (0.44) EGFRKDRBUB1HSP90AA1HSP90AB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-05-11 US disclosed
US-20200369680-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-26 US disclosed
US-10774090-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-09-15 US disclosed
US-20190233432-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-08-01 US disclosed
US-10233194-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use Duquesne Unversity of the Holy Spirit (US) 2019-03-19 US disclosed
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-07 US disclosed
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-07 US disclosed
US-9688690-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-06-27 US disclosed
US-9688690-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-06-27 US disclosed
WO-2016022890-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-02-11 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-20200369680-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT CRHR1 2175/4885EGFR 1764/4885PDGFRB 997/4885
US-10233194-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT CRHR1 2458/4885EGFR 1982/4885PDGFRB 1337/4885
US-20190233432-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT CRHR1 2230/4885EGFR 1662/4885PDGFRB 984/4885
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT CRHR1 2458/4885EGFR 1982/4885PDGFRB 1337/4885
US-10774090-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT CRHR1 2230/4885EGFR 1662/4885PDGFRB 984/4885
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT CRHR1 2175/4885EGFR 1764/4885PDGFRB 997/4885

“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.