SCHEMBL17528554

SCHEMBL17528554

COc1cc(C)c(NC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.50
ATR Q13535 1/20 0.43
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
PTPRB P23467 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20865564 0.84 LCK (0.50) LCKATRCA12CA1CA9
SCHEMBL3131919 0.84 LCK (0.60) LCKCA12CA1CA9
SCHEMBL17528556 0.83 LCK (0.49) LCKATRCA12CA1CA9
SCHEMBL25243093 0.81 LCK (0.62) LCKHPGDCA12CA1CA9
SCHEMBL30830461 0.81 LCK (0.48) LCKATRCA12CA1CA9
SCHEMBL5840611 0.80 LCK (0.41) LCKHPGDCYP3A4CA12CA1
SCHEMBL30830459 0.80 LCK (0.47) LCKATRHPGDCA12CA1
SCHEMBL3606323 0.80 ALDH1A1 (0.42) LCKATRCA12CA1CA9
SCHEMBL2157110 0.80 RAB9A (0.53) CA12CA1CA9
SCHEMBL4723839 0.79 KMT2A (0.54) CYP3A4

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-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-20200369681-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 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 LCK 378/4885ATR 401/4885HPGD 142/4885
US-10233194-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT LCK 335/4885ATR 442/4885HPGD 230/4885
US-20200369681-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, TYMP, TPMT LCK 302/4885ATR 919/4885HPGD 164/4885
US-20190233432-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT LCK 358/4885ATR 377/4885HPGD 150/4885
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT LCK 335/4885ATR 442/4885HPGD 230/4885
US-10774090-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT LCK 358/4885ATR 377/4885HPGD 150/4885
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, TYMP, TPMT LCK 302/4885ATR 919/4885HPGD 164/4885
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT LCK 378/4885ATR 401/4885HPGD 142/4885

“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.