SCHEMBL10148612

SCHEMBL10148612

Nc1cc(-c2cc(C(F)(F)F)ccc2O)ccn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.58
NOS3 P29474 1/20 0.57
NOS2 P35228 1/20 0.57
FEN1 P39748 7/20 0.46
ALOX5AP P20292 6/20 0.46
TOP2A P11388 1/20 0.42
SCN9A Q15858 5/20 0.41
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MPL P40238 1/20 0.38
SCN5A Q14524 1/20 0.38
BACE1 P56817 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KIF11 P52732 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
SCHEMBL319794 0.80 NPC1 (0.50) DYRK1AFEN1ALOX5APTOP2ASCN9A
SCHEMBL5990646 0.79 KIF11 (0.57) TOP2ASCN9AKIF11
SCHEMBL320181 0.78 DYRK1A (0.54) DYRK1ANOS3NOS2FEN1ALOX5AP
SCHEMBL11818566 0.77 NOS3 (0.63) DYRK1ANOS3NOS2MKNK1MKNK2
SCHEMBL13261852 0.76 DYRK1A (0.42) DYRK1ANOS3NOS2MKNK1MKNK2
SCHEMBL320908 0.76 S1PR1 (0.46) FEN1ALOX5APTOP2ASCN9ASCN5A
SCHEMBL319626 0.76 DYRK1A (0.55) DYRK1ASCN9AMKNK1MKNK2ROCK1
SCHEMBL59927 0.74 NOS3 (1.00) DYRK1ANOS3NOS2BACE1
SCHEMBL29432593 0.74 NOS3 (1.00) DYRK1ANOS3NOS2BACE1
Hydrochloric Acid SCHEMBL31372470 0.73 NOS3 (0.96) DYRK1ANOS3NOS2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
US-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
US-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
EP-2590972-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2015-01-21 EP disclosed
EP-2590972-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2015-01-21 EP disclosed
EP-2590972-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-15 EP disclosed
US-20130109667-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109667-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109667-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 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 (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-20130109667-A1 Chemical Compounds SCN1A, SCN7A, SCN1B DYRK1A 2225/4885NOS3 2153/4885NOS2 2444/4885

“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.