SCHEMBL3615415

SCHEMBL3615415

CCCCn1c(=O)n(Cc2ccccc2)c(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ CNOT7 Q9UIV1 4/20 0.62
▸ POLB P06746 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ ADORA2B P29275 2/20 0.62
▸ TSHR P16473 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ PDE4A P27815 2/20 0.60
▸ PDE4B Q07343 2/20 0.60
▸ PDE4C Q08493 2/20 0.60
▸ PDE4D Q08499 2/20 0.60
▸ PDE1A P54750 1/20 0.60
▸ PDE1B Q01064 1/20 0.60
▸ PDE1C Q14123 1/20 0.60

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
SCHEMBL1946890 0.96 POLB (0.67) ALDH1A1CNOT7POLBHIF1ASMN1; SMN2
SCHEMBL3186736 0.94 CNOT7 (0.61) ALDH1A1CNOT7POLBHIF1ASMN1; SMN2
SCHEMBL3112709 0.92 POLB (0.68) ALDH1A1CNOT7POLBHIF1ASMN1; SMN2
SCHEMBL7604892 0.89 KMT2A (0.61) ALDH1A1CNOT7POLBHIF1ASMN1; SMN2
SCHEMBL1944712 0.89 POLB (0.70) ALDH1A1CNOT7POLBHIF1ASMN1; SMN2
SCHEMBL1945875 0.88 KMT2A (0.69) ALDH1A1CNOT7POLBHIF1ASMN1; SMN2
SCHEMBL556098 0.88 PDE1A (0.70) ALDH1A1CNOT7POLBHIF1ASMN1; SMN2
SCHEMBL3106268 0.88 LMNA (0.58) ALDH1A1CNOT7POLBHIF1ASMN1; SMN2
SCHEMBL10697104 0.86 PDE4A (0.79) ALDH1A1CNOT7SMN1; SMN2ADORA2BTSHR
SCHEMBL27369794 0.85 KMT2A (0.63) ALDH1A1CNOT7POLBHIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-04-22 — — US disclosed
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-04-22 — — US disclosed
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-04-22 — — US disclosed
EP-1912993-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 — — EP disclosed
WO-2007017265-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 — — 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-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, HCAR1 ALDH1A1 840/4885CNOT7 3355/4885POLB 3234/4885

“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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