SCHEMBL13341459

SCHEMBL13341459

O=c1n(Cc2ccccc2)nc2c3ccccc3nc(Cl)n12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.49
▸ ALDH1A1 P00352 7/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA1 P30542 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
SCHEMBL8221822 0.85 ADORA2A (0.63) ADORA2AALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL13341575 0.83 NPSR1 (0.50) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL8220813 0.81 MEN1 (0.39) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL8221845 0.81 ADORA2A (0.55) ADORA2AALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL8223855 0.80 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL8223871 0.79 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL7390334 0.77 ADORA3 (0.53) ADORA2AADORA1
SCHEMBL8217493 0.77 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL13341606 0.77 KMT2A (0.54) ADORA2AKMT2ACYP2C9ADORA1
SCHEMBL13368130 0.76 ADORA2A (0.53) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713985-B2 Adenosine Aa2 receptor antagonists SCHERING CORPORATION (US) 2010-05-11 — — US disclosed
US-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2008-10-16 — — US 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-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ALDH1A1 932/4885SMN1; SMN2 770/4885

“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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