SCHEMBL7901657

SCHEMBL7901657

Cc1c(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)ccnc1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 12/20 0.33
CCNT1 O60563 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CDK9 P50750 2/20 0.32
CHRM1 P11229 2/20 0.32
PDE5A O76074 1/20 0.32
POLB P06746 1/20 0.31
F2RL3 Q96RI0 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL16501513 0.93 CCNT1 (0.34) BUB1CCNT1CDK1CCNB1CDK9
SCHEMBL7900281 0.88 FSCN1 (0.34) BUB1CCNT1CDK1CCNB1CDK9
SCHEMBL7907818 0.87 PDE5A (0.34) BUB1CCNT1CDK1CCNB1CDK9
SCHEMBL15107492 0.86 BUB1 (0.33) BUB1CCNT1CDK1CCNB1CDK9
SCHEMBL15107493 0.83 CHRM1 (0.38) CHRM1
SCHEMBL14875330 0.77 CHRM1 (0.49) BUB1CHRM1PDE5APOLB
SCHEMBL3807752 0.76 SCN9A (0.38) BUB1CHRM1PDE5AF2RL3
SCHEMBL14875371 0.74 PDE4A (0.38) BUB1CCNT1CDK1CCNB1CDK9
SCHEMBL3713264 0.73 GABRA1 (0.37) CCNT1CDK1CCNB1CDK9CHRM1
SCHEMBL14875518 0.73 GRM2 (0.39) BUB1CHRM1PDE5APOLBF2RL3

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-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-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-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 (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-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A BUB1 2073/4885CCNT1 967/4885CDK1 509/4885

“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.