SCHEMBL19033040

SCHEMBL19033040

Cc1nc(N)c(Cl)c(N(C)c2ccc3c(c2)CCO3)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.62
▸ KDR P35968 8/20 0.62
▸ PDGFRB P09619 5/20 0.62
▸ PDGFRA P16234 5/20 0.51
▸ DYRK1A Q13627 2/20 0.40
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ PRKCI P41743 1/20 0.35
▸ PLAU P00749 1/20 0.34
▸ PRKAB2 O43741 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32

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
SCHEMBL17837028 0.77 KDR (1.00) EGFRKDRPDGFRBPDGFRADYRK1A
SCHEMBL18158226 0.77 EGFR (0.62) EGFRKDRPDGFRBPDGFRADYRK1A
SCHEMBL18540799 0.75 KDR (0.66) EGFRKDRPDGFRBPDGFRADYRK1A
SCHEMBL19033038 0.72 KDR (0.56) EGFRKDRPDGFRBPDGFRA
SCHEMBL22704314 0.71 MEN1 (0.48) EGFRKDRPDGFRBMAPT
SCHEMBL18540823 0.70 KDR (0.56) EGFRKDRPDGFRBPDGFRA
SCHEMBL17858422 0.69 EGFR (0.50) EGFRKDRPDGFRBDYRK1AMAPT
SCHEMBL18540817 0.68 KDR (0.42) EGFRKDRPDGFRBPDGFRADYRK1A
SCHEMBL18540818 0.67 EGFR (0.65) EGFRKDRPDGFRBPDGFRA
SCHEMBL18552522 0.66 EGFR (0.48) EGFRKDRPDGFRBDYRK1AMAPT

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 11 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

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 EGFR 1764/4885KDR 3566/4885PDGFRB 997/4885
US-10233194-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT EGFR 1982/4885KDR 3538/4885PDGFRB 1337/4885
US-20200369681-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, TYMP, TPMT EGFR 2152/4885KDR 3751/4885PDGFRB 1339/4885
US-20190233432-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT EGFR 1662/4885KDR 3471/4885PDGFRB 984/4885
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT EGFR 1982/4885KDR 3538/4885PDGFRB 1337/4885
US-10774090-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT EGFR 1662/4885KDR 3471/4885PDGFRB 984/4885
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, TYMP, TPMT EGFR 2152/4885KDR 3751/4885PDGFRB 1339/4885
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT EGFR 1764/4885KDR 3566/4885PDGFRB 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.

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