SCHEMBL20272

SCHEMBL20272

COc1ccc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
BACE1 P56817 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SORT1 Q99523 1/20 0.41
METAP2 P50579 2/20 0.40
CYP1A2 P05177 1/20 0.40
CACNA1D Q01668 1/20 0.39
PFKFB3 Q16875 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DYRK3 O43781 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
DYRK1A Q13627 2/20 0.38
DYRK2 Q92630 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
CCNT1 O60563 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
SCHEMBL11343226 0.77 PFKFB3 (0.44) KDM4EBACE1PFKFB3DYRK1A
SCHEMBL12068394 0.76 CACNA1D (0.49) KDM4EBACE1CACNA1DSMN1; SMN2MAPT
SCHEMBL6478758 0.76 KDM4E (0.41) KDM4EBACE1DYRK3CCNA2CDK2
SCHEMBL30369296 0.76 BACE1 (0.46) KDM4EBACE1METAP2PFKFB3DYRK1A
SCHEMBL22573215 0.76 BACE1 (0.46) KDM4EBACE1METAP2PFKFB3DYRK1A
SCHEMBL30485659 0.76 BACE1 (0.46) KDM4EBACE1METAP2PFKFB3DYRK1A
SCHEMBL30748642 0.76 MTNR1A (0.44) KDM4EBACE1MTNR1AMTNR1BCYP1A2
SCHEMBL22754 0.76 CYP1A2 (0.55) KDM4EBACE1METAP2CYP1A2PFKFB3
SCHEMBL12068382 0.75 NQO2 (0.44) BACE1CACNA1D
SCHEMBL22725676 0.74 MTNR1A (0.36) MTNR1AMTNR1BSORT1METAP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 US disclosed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US disclosed
US-8653101-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2012-03-01 US disclosed
WO-2012025236-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 KDM4E 505/4885BACE1 3440/4885MTNR1A 277/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 KDM4E 505/4885BACE1 3440/4885MTNR1A 277/4885

“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.