SCHEMBL12213331

SCHEMBL12213331

O=CN(c1ccc(F)c(F)c1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 3/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ERN1 O75460 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.33
GRM5 P41594 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PLA2G7 Q13093 1/20 0.31
HTT P42858 1/20 0.31
POLQ O75417 1/20 0.31
CES1 P23141 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL9183270 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EMAPK1RAB9AMAPT
SCHEMBL2861141 0.78 CYP2D6 (0.42) ALDH1A1KDM4ENOS1NOS2RAB9A
SCHEMBL13338160 0.76 CYP2D6 (0.41) ALDH1A1KDM4EMAPK1RAB9AMAPT
SCHEMBL19415152 0.73 POLQ (0.35) ALDH1A1KDM4EMAPTNPSR1CYP2D6
SCHEMBL5374860 0.73 NTRK1 (0.42) ALDH1A1MAPK1MAPT
SCHEMBL28446737 0.72 KDM4E (0.47) ALDH1A1KDM4ERAB9AMAPTTP53
SCHEMBL8802907 0.69 CYP2D6 (0.33) ALDH1A1KDM4ERAB9AMAPTNPSR1
SCHEMBL2702055 0.67 ALDH1A1 (0.43) ALDH1A1KDM4ENOS1NOS2RAB9A
SCHEMBL890760 0.67 NOS3 (0.35) ALDH1A1KDM4ENOS1NOS2RAB9A
SCHEMBL2093675 0.64 CES2 (0.34) ALDH1A1RAB9AERN1CES1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039632-B2 2-aminio-pyridine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2011-10-18 US disclosed
US-8039632-B2 2-aminio-pyridine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2011-10-18 US disclosed
US-20100056584-A1 NOVEL 2-AMINIO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-03-04 US disclosed
US-20100056584-A1 NOVEL 2-AMINIO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-03-04 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-20100056584-A1 NOVEL 2-AMINIO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNN2, KCNN1, KCNN3 ALDH1A1 4016/4885KDM4E 393/4885NOS1 3232/4885

“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.