SCHEMBL14875412

SCHEMBL14875412

CCOC(=O)c1nn(Cc2ccc(-c3cscn3)nc2)c2ccccc2c1=S

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.42
ELANE P08246 13/20 0.41
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
CYP19A1 P11511 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3808810 0.90 F2RL3 (0.43) F2RL3ELANEF2PLAURXFP1
SCHEMBL14884875 0.80 F2RL3 (0.62) F2RL3ELANEF2PLAUMEN1
SCHEMBL3804459 0.79 PTGER4 (0.41) MEN1KMT2AKDM4EHSD17B10
SCHEMBL3806317 0.74 F2RL3 (0.48) F2RL3ELANEF2PLAURXFP1
SCHEMBL3785436 0.73 CHRM1 (0.53) F2RL3ELANEF2PLAUMEN1
SCHEMBL14875338 0.72 F2RL3 (0.44) F2RL3ELANEF2PLAURXFP1
SCHEMBL615728 0.72 ELANE (0.42) F2RL3ELANEF2PLAUMEN1
SCHEMBL615481 0.72 KMT2A (0.42) F2RL3ELANEMEN1KMT2AGABRA1
SCHEMBL25966954 0.71 ELANE (0.65) F2RL3ELANEF2PLAUMEN1
SCHEMBL3804654 0.71 GABRA1 (0.42) F2RL3ELANEMEN1KMT2AGABRA1

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
EP-2398324-B1 PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-09-03 EP disclosed
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-8486946-B2 Pyrazolo [4,3-c] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 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-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-12-08 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-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A F2RL3 396/4885ELANE 3740/4885F2 2368/4885
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A F2RL3 396/4885ELANE 3740/4885F2 2368/4885

“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.