SCHEMBL12983447

SCHEMBL12983447

Cc1ccnc(N(C)Cc2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ PPARA Q07869 2/20 0.41
▸ KDM5A P29375 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ CXCR1 P25024 2/20 0.38
▸ CXCR2 P25025 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 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
SCHEMBL12983805 0.80 AGTR1 (0.48) AGTR1AGTR2KDM5AKDM4CKDM5B
SCHEMBL12983182 0.78 AGTR1 (0.47) AGTR1AGTR2KDM5AKDM4CKDM5B
SCHEMBL12983459 0.73 PIK3CD (0.39) AGTR1AGTR2MEN1KMT2A
SCHEMBL17611245 0.71 NAPRT (0.46) KDM5AKDM4CKDM5BCNR1CNR2
SCHEMBL12983202 0.71 MAPK1 (0.36) AGTR1AGTR2PPARAALDH1A1
SCHEMBL15630537 0.69 TRPM8 (0.51) PPARAKDM2BCXCR1CXCR2MEN1
SCHEMBL1721511 0.68 SMN1; SMN2 (0.40) KDM5AKDM4CKDM5BCNR1CNR2
SCHEMBL28243763 0.68 KDM4E (0.38) KDM5AKDM4CKDM5BTDP1KMT2A
SCHEMBL1735897 0.68 CSF1R (0.44) KDM5BCSF1RMAPTDAO
Hydrochloric Acid SCHEMBL1738545 0.67 CSF1R (0.43) KDM5BCSF1RMAPTDAO

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 AGTR1 2368/4885AGTR2 1918/4885PPARA 1188/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 AGTR1 2368/4885AGTR2 1918/4885PPARA 1188/4885

“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