SCHEMBL7749508

SCHEMBL7749508

CNC(=O)NC1CCCCC1Nc1nc(-c2ccccc2)nc2[nH]c(C)c(C)c12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.61
▸ ADORA2A P29274 8/20 0.61
▸ ADORA3 P0DMS8 1/20 0.39
▸ PDE5A O76074 2/20 0.36
▸ ACP1 P24666 2/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL7749711 1.00 ADORA1 (0.61) ADORA1ADORA2AADORA3PDE5AACP1
SCHEMBL7745018 1.00 ADORA1 (0.61) ADORA1ADORA2AADORA3PDE5AACP1
SCHEMBL7750827 1.00 ADORA1 (0.61) ADORA1ADORA2AADORA3PDE5AACP1
SCHEMBL7750995 1.00 ADORA1 (0.61) ADORA1ADORA2AADORA3PDE5AACP1
SCHEMBL15426758 0.78 ADORA1 (0.77) ADORA1ADORA2AADORA3ACP1
SCHEMBL4496406 0.75 ADORA1 (0.78) ADORA1ADORA2AADORA3PDE5AACP1
SCHEMBL15425805 0.74 ADORA1 (0.70) ADORA1ADORA2AADORA3
SCHEMBL15425807 0.74 ADORA1 (0.81) ADORA1ADORA2AADORA3PDE5AACP1
SCHEMBL14591081 0.74 ADORA1 (0.67) ADORA1ADORA2AEGFRNPSR1RXFP1
SCHEMBL4251031 0.74 ADORA1 (0.87) ADORA1ADORA2AADORA3PDE5AACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 — — US disclosed
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 — — US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 — — US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 — — US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 — — US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 — — 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-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885

“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.

Send feedback