SCHEMBL3455310

SCHEMBL3455310

COc1nc(N)nc(-c2cccc(F)c2)c1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.47
DYRK1A Q13627 1/20 0.47
ADORA2A P29274 9/20 0.47
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
MAPK14 Q16539 4/20 0.46
ADORA1 P30542 7/20 0.45
ADORA2B P29275 2/20 0.45
ADORA3 P0DMS8 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 2/20 0.41
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CHUK O15111 1/20 0.40

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
SCHEMBL3455970 0.87 ADORA2A (0.44) RAF1DYRK1AADORA2AMAPK13MAPK12
SCHEMBL3456079 0.87 ADORA2A (0.44) RAF1DYRK1AADORA2AMAPK13MAPK12
SCHEMBL3456003 0.85 ADORA2A (0.43) RAF1DYRK1AADORA2AMAPK13MAPK12
SCHEMBL5448755 0.83 ADORA2A (0.52) RAF1DYRK1AADORA2AMAPK13MAPK12
SCHEMBL3457100 0.81 ADORA2A (0.50) RAF1DYRK1AADORA2AMAPK13MAPK12
SCHEMBL5449809 0.80 ADORA2A (0.47) RAF1DYRK1AADORA2AMAPK13MAPK12
SCHEMBL5458678 0.80 ADORA2A (0.47) RAF1DYRK1AADORA2AMAPK13MAPK12
SCHEMBL3057933 0.73 MAPK14 (0.55) RAF1ADORA2AMAPK13MAPK12MAPK11
SCHEMBL5189460 0.72 USP2 (0.46) RAF1DYRK1AADORA2AMAPK13MAPK12
SCHEMBL5447978 0.71 ADORA1 (0.69) RAF1ADORA2AMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 EP 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-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF CBR3, AHR, HCCS RAF1 434/4885DYRK1A 4130/4885ADORA2A 539/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 RAF1 1446/4885DYRK1A 1944/4885ADORA2A 2/4885

“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.