SCHEMBL6873994

SCHEMBL6873994

Cc1cc(-c2ccc(CN3CC(=O)N(C)C3=O)cc2)cc2c1C(=O)N(C1CC1)C2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.38
ENPP2 Q13822 4/20 0.38
PARP1 P09874 3/20 0.36
PARP2 Q9UGN5 2/20 0.36
TP53 P04637 1/20 0.34
FSHR P23945 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
GRM2 Q14416 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1816546 0.90 ENPP2 (0.38) PIK3CGENPP2PARP1PARP2TP53
SCHEMBL1816940 0.87 FSHR (0.38) ENPP2FSHR
SCHEMBL1817677 0.84 ENPP2 (0.40) ENPP2
SCHEMBL6875354 0.81 ENPP2 (0.35) PIK3CGENPP2GRM2
SCHEMBL6875356 0.81 MAOA (0.39) ENPP2BMPR1AACVRL1ACVR1
SCHEMBL1817540 0.81 GRM5 (0.39) ENPP2
SCHEMBL1816794 0.81 DGAT1 (0.36) ENPP2PARP1PARP2
SCHEMBL1815307 0.80 ENPP2 (0.43) ENPP2
SCHEMBL1814672 0.80 PIK3CG (0.33) PIK3CGPARP2BMPR1AACVRL1ACVR1
SCHEMBL1818195 0.78 CYP2C9 (0.38) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 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-20120220622-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIN3A, GRIN2D PIK3CG 4046/4885ENPP2 2659/4885PARP1 4713/4885

“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.