SCHEMBL617813

SCHEMBL617813

Cn1cc(-c2ccc(Cn3nc4c(=O)[nH]nc-4c4cccnc43)cn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MET P08581 7/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NTRK1 P04629 1/20 0.38
CHRM1 P11229 2/20 0.38
HDAC1 Q13547 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL615063 0.86 L3MBTL1 (0.40) PIM1METMAPK1CYP11B1CYP11B2
SCHEMBL614851 0.80 L3MBTL1 (0.39) MAPTCYP11B1
SCHEMBL615038 0.78 FGFR1 (0.38) METMAPTCYP11B1CYP11B2CHRM1
SCHEMBL626765 0.76 ELANE (0.40) METMAPTCYP11B1CYP11B2CHRM1
SCHEMBL7906411 0.67 FGFR1 (0.47) METCYP11B1CYP11B2CHRM1HDAC1
SCHEMBL14875371 0.66 PDE4A (0.38) MAPTMAPK1CHRM1
SCHEMBL15107493 0.66 CHRM1 (0.38) METCYP11B1CYP11B2CHRM1HDAC1
SCHEMBL24205908 0.66 L3MBTL1 (0.44) MET
SCHEMBL615418 0.65 CHRM1 (0.41) CHRM1AURKAAURKB
SCHEMBL615419 0.65 CHRM1 (0.41) CHRM1AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421366-B1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP 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 (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-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 PIM1 2954/4885PIM3 3631/4885PIM2 3812/4885

“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.