SCHEMBL7749860

SCHEMBL7749860

COC(=O)COCc1cc2c(N3CCC[C@H]3C(N)=O)nc(-c3ccccc3)nc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.43
MAT2A P31153 2/20 0.41
ELANE P08246 2/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
SCN9A Q15858 5/20 0.37
FPR2 P25090 4/20 0.37
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
PIM1 P11309 1/20 0.34

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
SCHEMBL4078860 1.00 ACVR1 (0.43) ACVR1MAT2AELANETSHRPOLB
SCHEMBL7745809 0.93 MAT2A (0.43) ACVR1MAT2AELANETSHRPOLB
SCHEMBL4077829 0.93 MAT2A (0.43) ACVR1MAT2AELANETSHRPOLB
SCHEMBL7752199 0.92 ELANE (0.42) ACVR1MAT2AELANETSHRPOLB
SCHEMBL7745115 0.92 MAT2A (0.42) ACVR1MAT2AELANETSHRPOLB
SCHEMBL7751002 0.91 MAT2A (0.43) ACVR1MAT2AELANETSHRPOLB
SCHEMBL4083507 0.91 MAT2A (0.43) ACVR1MAT2AELANETSHRPOLB
SCHEMBL7751014 0.89 MAT2A (0.41) ACVR1MAT2AELANETSHRPOLB
SCHEMBL7751033 0.88 MAT2A (0.42) ACVR1MAT2AELANETSHRPOLB
SCHEMBL4254009 0.88 MAT2A (0.42) ACVR1MAT2AELANETSHRPOLB

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 ACVR1 470/4885MAT2A 285/4885ELANE 1552/4885

“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.