SCHEMBL12984767

SCHEMBL12984767

Cc1ccnc(N2CCO[C@@H](CO)C2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ RAF1 P04049 4/20 0.42
▸ BRAF P15056 4/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ LRRK2 Q5S007 2/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SYK P43405 2/20 0.41
▸ TTK P33981 1/20 0.41
▸ AOC3 Q16853 1/20 0.40
▸ ABL1 P00519 2/20 0.38
▸ KIF18A Q8NI77 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL12983927 1.00 ADORA2A (0.46) ADORA2AADORA1RAF1BRAFEIF2AK4
SCHEMBL12983675 0.87 FFAR2 (0.44) ADORA2AADORA1EIF2AK4LRRK2SYK
SCHEMBL12983861 0.87 FFAR2 (0.44) ADORA2AADORA1EIF2AK4LRRK2SYK
SCHEMBL12983867 0.85 IDH1 (0.40) ADORA2AADORA1RAF1BRAFEIF2AK4
SCHEMBL12984198 0.74 IRAK4 (0.41) RAF1BRAF
SCHEMBL12983252 0.73 PRKAB2 (0.41) —
SCHEMBL12983593 0.72 CHRM4 (0.39) —
SCHEMBL23132316 0.70 CHEK1 (0.44) ADORA2AADORA1LRRK2HDAC6SYK
SCHEMBL8323998 0.70 CHI3L1 (0.49) ADORA2AADORA1RAF1BRAFLRRK2
SCHEMBL25389487 0.70 KMT2A (0.40) KIF18A

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
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 — — US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 — — US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 — — US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 — — US disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 — — 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 ADORA2A 417/4885ADORA1 558/4885RAF1 1768/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 ADORA2A 417/4885ADORA1 558/4885RAF1 1768/4885

“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.

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