SCHEMBL7752787

SCHEMBL7752787

NC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2)nc2c1cc(C(=O)O)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.43
ELANE P08246 2/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
GBA1 P04062 1/20 0.37
SCN9A Q15858 4/20 0.37
FPR2 P25090 3/20 0.37
ACVR1 Q04771 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
USP2 O75604 1/20 0.35
AR P10275 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
SCHEMBL4077720 0.74 MAT2A (0.47) MAT2AELANETSHRPOLBSCN9A
SCHEMBL7749780 0.74 MAT2A (0.47) MAT2AELANETSHRPOLBSCN9A
SCHEMBL3251937 0.74 CCR2 (0.43) GBA1KMT2A
SCHEMBL3255081 0.73 CCR2 (0.42) GBA1KMT2A
SCHEMBL3250474 0.72 MAPK14 (0.41) TSHRGBA1KMT2AUSP2
SCHEMBL4084126 0.72 MAT2A (0.47) MAT2AELANETSHRPOLBSCN9A
SCHEMBL4078297 0.72 MAT2A (0.47) MAT2AELANETSHRPOLBSCN9A
SCHEMBL4083747 0.72 ELANE (0.51) MAT2AELANETSHRPOLBSCN9A
SCHEMBL3250471 0.72 PDE10A (0.47) TSHRKMT2AUSP2
SCHEMBL7751006 0.71 MAT2A (0.46) MAT2AELANETSHRPOLBSCN9A

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-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-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 MAT2A 285/4885ELANE 1552/4885TSHR 335/4885

“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.