SCHEMBL4095473

SCHEMBL4095473

COc1ccc(-c2nc(N)nc3ccc(Cl)nc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.51
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HRH2 P25021 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
DHFR P00374 5/20 0.45
DYRK1A Q13627 1/20 0.43

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
SCHEMBL4115567 0.87 ADORA2A (0.47) ADORA2AADORA1DHFR
SCHEMBL4103242 0.85 KDM4E (0.46) ADORA2AKMT2A
SCHEMBL4102985 0.84 HSP90AB1 (0.58) ADORA2AADORA1HRH3HRH2PDCD1
SCHEMBL4102769 0.83 HSP90AB1 (0.50) ADORA2AADORA1KMT2AHRH3HRH2
SCHEMBL4108258 0.82 DHFR (0.46) ADORA1KMT2ADHFR
SCHEMBL24109318 0.81 HSP90AB1 (0.41) ADORA2AADORA1DHFR
SCHEMBL4115434 0.81 ADORA2A (0.53) ADORA2AADORA1KMT2AHRH3HRH2
SCHEMBL4100720 0.81 ADORA2A (0.51) ADORA2AADORA1DHFR
SCHEMBL4100786 0.80 ADORA2A (0.54) ADORA2AADORA1KMT2ADHFR
SCHEMBL4106741 0.80 ADORA2A (0.49) ADORA2AADORA1KMT2ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-20230257359-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-08-17 US disclosed
US-20230257359-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-08-17 US disclosed
WO-2021252680-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (2 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-20230257359-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS MAT2A, MAT2B, MAT1A ADORA2A 67/4885ADORA1 705/4885KMT2A 81/4885
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD ADORA2A 165/4885ADORA1 163/4885KMT2A 4045/4885

“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.