SCHEMBL20150236

SCHEMBL20150236

COc1nc(N)ncc1-c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.51
ADORA2A P29274 4/20 0.51
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
FYN P06241 2/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
DHFR P00374 4/20 0.46
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
CYP1A2 P05177 1/20 0.42
METAP2 P50579 1/20 0.42

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
SCHEMBL1388331 0.80 DHFR (0.67) ADORA1ADORA2ADHFRMAPT
SCHEMBL16044785 0.77 FYN (0.43) ADORA1ADORA2AFYNPDGFRBPDGFRA
SCHEMBL28392349 0.76 ADORA1 (0.59) ADORA1ADORA2AFYNMAPT
SCHEMBL20702457 0.76 FYN (0.42) ADORA1ADORA2AFYNPDGFRBPDGFRA
SCHEMBL30127841 0.76 FYN (0.42) ADORA1ADORA2AFYNPDGFRBPDGFRA
SCHEMBL1254838 0.75 KMT2A (0.55) ADORA1ADORA2APIK3CDPIK3CAPIK3CB
SCHEMBL6133391 0.75 ADORA1 (0.49) ADORA1ADORA2AFYNPDGFRBPDGFRA
SCHEMBL15674555 0.73 ALOX5AP (0.52) FYNPDGFRBPDGFRADHFR
SCHEMBL978966 0.72 QPCT (0.53) ADORA1ADORA2AFYNDHFRMAPT
SCHEMBL20150481 0.72 MAP4K4 (0.68) ADORA2AFYNDHFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
US-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof ZHEJIANG UNIVERSITY (CN) 2023-02-28 US disclosed
US-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof ZHEJIANG UNIVERSITY (CN) 2023-02-28 US disclosed
EP-3530657-B1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE UNIV ZHEJIANG (CN) 2022-04-13 EP disclosed
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2021-09-16 US disclosed
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2021-09-16 US disclosed
EP-3530657-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE Zhejiang University (CN) 2019-08-28 EP disclosed
EP-3530657-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE Zhejiang University (CN) 2019-08-28 EP disclosed
WO-2018086546-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE 浙江大学 2018-05-17 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 (3 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-11591325-B2 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 ADORA1 1499/4885ADORA2A 1386/4885PIK3CD 138/4885
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 ADORA1 1499/4885ADORA2A 1386/4885PIK3CD 138/4885
US-20210284625-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 ADORA1 1499/4885ADORA2A 1386/4885PIK3CD 138/4885

“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.