SCHEMBL14884875

SCHEMBL14884875

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.62
CYP19A1 P11511 4/20 0.53
ELANE P08246 6/20 0.52
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
F2 P00734 1/20 0.49
PLAU P00749 1/20 0.49
SLC16A3 O15427 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PTGER4 P35408 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL10164962 0.87 F2RL3 (0.64) F2RL3CYP19A1ELANEMAPK1SMN1; SMN2
SCHEMBL3785436 0.85 CHRM1 (0.53) F2RL3ELANEF2PLAUMEN1
SCHEMBL25966954 0.83 ELANE (0.65) F2RL3CYP19A1ELANESMN1; SMN2F2
SCHEMBL15897855 0.82 ELANE (0.58) F2RL3CYP19A1ELANEMAPK1F2
SCHEMBL17322915 0.82 ELANE (0.67) F2RL3CYP19A1ELANEF2PLAU
SCHEMBL957880 0.81 F2RL3 (0.60) F2RL3ELANEF2PLAUPTGER4
SCHEMBL19402534 0.80 ELANE (0.56) F2RL3ELANEF2PLAUPTGER4
SCHEMBL14875412 0.80 F2RL3 (0.42) F2RL3CYP19A1ELANESMN1; SMN2POLB
SCHEMBL15897947 0.79 GABRA1 (0.57) F2RL3ELANEF2PLAU
SCHEMBL16378028 0.79 F2RL3 (0.57) F2RL3ELANEMAPK1SMN1; SMN2F2

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 2 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

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-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A F2RL3 396/4885CYP19A1 975/4885ELANE 3740/4885

“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.