SCHEMBL4049734

SCHEMBL4049734

Nc1cc(-c2ccnc(N)c2N)c(-c2cccc(F)c2)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ ADORA2A P29274 4/20 0.41
▸ MTOR P42345 1/20 0.40
▸ ADORA1 P30542 3/20 0.39
▸ MAP4K4 O95819 3/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL17555726 0.82 FYN (0.49) FYNMTORMAP4K4KDM4EMEN1
SCHEMBL4049728 0.79 ADORA2A (0.52) DPP4ADORA2AADORA1MAP4K4ADORA2B
SCHEMBL4049446 0.74 MEN1 (0.42) ADORA2AADORA1ADORA2BKDM4EMEN1
SCHEMBL17555819 0.73 TDO2 (0.48) FYNDPP4ADORA2AADORA1MAP4K4
SCHEMBL4050628 0.73 ALDH1A1 (0.46) ADORA2AADORA1ADORA2BKDM4EMEN1
SCHEMBL3792272 0.72 ADORA2A (0.33) ADORA2AADORA1ADORA2B
SCHEMBL18748036 0.72 ADORA2A (0.57) DPP4ADORA2AADORA1MAP4K4ADORA2B
SCHEMBL13506871 0.71 NOS3 (0.41) FYNMTORMAP4K4
SCHEMBL3786302 0.69 MAP4K4 (0.35) ADORA2AADORA1MAP4K4ADORA2BMEN1
SCHEMBL4059869 0.69 PIK3R1 (0.43) FYNDPP4ADORA2AMTORADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 — — US claimed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 — — US disclosed
EP-1735310-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-12-27 — — EP disclosed
WO-2005100353-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA, SA (ES) 2005-10-27 — — 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 (1 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-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 FYN 4727/4885DPP4 3181/4885ADORA2A 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.

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