SCHEMBL19033751

SCHEMBL19033751

COc1cc(C)c(Nc2nc(C)nc3c2ccn3C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 10/20 0.39
▸ EGFR P00533 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ KCNN3 Q9UGI6 1/20 0.37
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34

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 0.79 BRD4 (0.37) CRHR1EGFRPDGFRBKDR
SCHEMBL17528586 0.74 PDGFRB (0.41) CRHR1EGFRPDGFRBKDR
SCHEMBL19033752 0.74 SYK (0.44) EGFRPDGFRBKDRBTK
SCHEMBL30426054 0.66 NPSR1 (0.58) EGFRPDGFRBKDRKCNN3ABL1
SCHEMBL19684529 0.66 HRH4 (0.42) KCNN3
SCHEMBL789756 0.65 HRH4 (0.37) KCNN3
SCHEMBL17528506 0.65 KDR (0.59) EGFRPDGFRBKDR
SCHEMBL20558397 0.64 BTK (0.55) BTK
SCHEMBL3113501 0.63 MAPT (0.53) CRHR1
SCHEMBL18711826 0.63 HRH4 (0.36) KCNN3

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-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.

Send feedback