SCHEMBL3810014

SCHEMBL3810014

CCOC(=O)c1n[nH]c2cccc(F)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.58
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42

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
SCHEMBL25205501 0.85 KDM4E (0.58) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL25229811 0.81 KDM4E (0.54) KDM4EPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL8830103 0.79 CTNNB1 (0.42) KDM4EPOLBMAPTHSD17B10ALDH1A1
SCHEMBL25949353 0.79 KDM4E (0.48) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL3716680 0.79 KDM4E (0.81) KDM4EPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL19780350 0.77 KDM4E (0.62) KDM4EPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL31686064 0.76 KDM4E (0.60) KDM4EPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL2285923 0.75 CLEC4M (0.55) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL2862825 0.75 KDM4E (0.59) KDM4EMAPTSMN1; SMN2HSD17B10LMNA
SCHEMBL3945810 0.74 KDM4E (0.42) KDM4EPOLBSMN1; SMN2HSD17B10ALDH1A1

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
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
EP-2398324-A1 PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2011-12-28 — — EP 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
WO-2010096338-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-08-26 — — 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 (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 KDM4E 3560/4885POLB 4235/4885MAPT 903/4885
US-20130102599-A1 PYRAZOLO [4,3-C] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A KDM4E 3560/4885POLB 4235/4885MAPT 903/4885

“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.

Send feedback