SCHEMBL4100786

SCHEMBL4100786

Nc1nc(-c2ccccc2)c2nc(Cl)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.54
NUDT1 P36639 1/20 0.54
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADORA1 P30542 9/20 0.45
HSP90AB1 P08238 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ADORA2B P29275 2/20 0.43
DHFR P00374 1/20 0.42
PIK3CG P48736 1/20 0.42
MAP4K4 O95819 1/20 0.42
JAK2 O60674 1/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CTSG P08311 1/20 0.41

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
SCHEMBL4100720 0.97 ADORA2A (0.51) ADORA2ANUDT1KDM4EALDH1A1LMNA
SCHEMBL4097631 0.88 ADORA2A (0.45) ADORA2ANUDT1KDM4EALDH1A1LMNA
SCHEMBL4102769 0.87 HSP90AB1 (0.50) ADORA2ANUDT1KDM4EALDH1A1LMNA
SCHEMBL4110066 0.85 ADORA2A (0.43) ADORA2ANUDT1KDM4EALDH1A1LMNA
SCHEMBL24109318 0.84 HSP90AB1 (0.41) ADORA2ANUDT1ADORA1HSP90AB1DHFR
SCHEMBL4102985 0.84 HSP90AB1 (0.58) ADORA2ANUDT1KDM4EALDH1A1LMNA
SCHEMBL4115434 0.84 ADORA2A (0.53) ADORA2ANUDT1KDM4EADORA1HSP90AB1
SCHEMBL4103450 0.83 SRC (0.49) ADORA2ALMNASMN1; SMN2ADORA1HSP90AB1
SCHEMBL4107356 0.82 RAB9A (0.49) ADORA2AKDM4EALDH1A1LMNAADORA1
SCHEMBL4097195 0.82 ADORA2A (0.46) ADORA2AADORA1HSP90AB1ADORA2BDHFR

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 67/4885NUDT1 16/4885KDM4E 811/4885
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD ADORA2A 165/4885NUDT1 8/4885KDM4E 2414/4885

“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.