SCHEMBL17528545

SCHEMBL17528545

Nc1nc(N)c2c(n1)[nH]c1cccc(Cc3ccccc3)c12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS P04818 7/20 0.57
EGFR P00533 7/20 0.57
PDGFRB P09619 5/20 0.57
KDR P35968 3/20 0.57
FLT3 P36888 2/20 0.57
DHFR P00374 2/20 0.47
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL17528544 0.88 EGFR (0.60) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL12620147 0.77 TYMS (0.61) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL1154407 0.77 DHFR (0.75) DHFR
SCHEMBL17500020 0.75 EGFR (0.59) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL12391891 0.75 EGFR (0.63) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL1994777 0.73 TYMS (1.00) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL17528504 0.73 EGFR (0.57) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL1923985 0.71 EGFR (0.63) TYMSEGFRPDGFRBKDRFLT3
SCHEMBL6854925 0.71 GAA (0.51) PDGFRBKDRFLT3CYP1A2CYP3A4
SCHEMBL5442696 0.68 DHFR (0.45) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-09-07 US disclosed
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-20200369681-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-11-26 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 (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-20200369680-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT TYMS 5/4885EGFR 1764/4885PDGFRB 997/4885
US-10233194-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT TYMS 6/4885EGFR 1982/4885PDGFRB 1337/4885
US-20200369681-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, TYMP, TPMT TYMS 4/4885EGFR 2152/4885PDGFRB 1339/4885
US-20190233432-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT TYMS 5/4885EGFR 1662/4885PDGFRB 984/4885
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT TYMS 6/4885EGFR 1982/4885PDGFRB 1337/4885
US-10774090-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT TYMS 5/4885EGFR 1662/4885PDGFRB 984/4885
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, TYMP, TPMT TYMS 4/4885EGFR 2152/4885PDGFRB 1339/4885
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT TYMS 5/4885EGFR 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.