SCHEMBL10164962

SCHEMBL10164962

CCOC(=O)c1nn(Cc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.64
CYP19A1 P11511 4/20 0.54
ELANE P08246 6/20 0.53
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
F2 P00734 1/20 0.50
PLAU P00749 1/20 0.50
SLC16A3 O15427 1/20 0.49
PTGER4 P35408 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL13885818 0.91 ELANE (0.56) F2RL3CYP19A1ELANEF2PLAU
SCHEMBL16377892 0.90 PTGER4 (0.56) F2RL3ELANEALDH1A1SMN1; SMN2POLB
SCHEMBL16378028 0.89 F2RL3 (0.57) F2RL3ELANEMAPK1SMN1; SMN2F2
SCHEMBL23908904 0.88 ELANE (0.55) F2RL3ELANEPOLBF2PLAU
SCHEMBL14884875 0.87 F2RL3 (0.62) F2RL3CYP19A1ELANEMAPK1ALDH1A1
SCHEMBL3806317 0.85 F2RL3 (0.48) F2RL3CYP19A1ELANESMN1; SMN2F2
SCHEMBL3809551 0.84 CHRM1 (0.54) F2RL3ELANEALDH1A1SMN1; SMN2F2
SCHEMBL25966954 0.84 ELANE (0.65) F2RL3CYP19A1ELANESMN1; SMN2F2
SCHEMBL9980879 0.83 PTGER4 (0.58) F2RL3ALDH1A1SLC16A3PTGER4
SCHEMBL17322915 0.83 ELANE (0.67) F2RL3CYP19A1ELANEF2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653079-B2 Pyrazolo [4,3-C] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-25 US disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 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 (2 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-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A F2RL3 396/4885CYP19A1 975/4885ELANE 3740/4885
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 F2RL3 996/4885CYP19A1 634/4885ELANE 4513/4885

“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.