SCHEMBL320181

SCHEMBL320181

COc1ccc(C(F)(F)F)cc1-c1ccnc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.54
NOS3 P29474 2/20 0.53
NOS2 P35228 2/20 0.53
TNIK Q9UKE5 1/20 0.52
SCN9A Q15858 3/20 0.50
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
CTSA P10619 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSK3B P49841 1/20 0.42
NOS1 P29475 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CASR P41180 2/20 0.40
PIM1 P11309 1/20 0.40
CDK9 P50750 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL5991709 0.81 KIF11 (0.52) TNIKSCN9ACTSAPTGDR2CASR
SCHEMBL10148612 0.78 DYRK1A (0.58) DYRK1ANOS3NOS2SCN9AALOX5AP
SCHEMBL30091654 0.78 DYRK1A (0.52) DYRK1ANOS3NOS2RAB9AGSK3B
SCHEMBL22272596 0.78 DYRK1A (0.52) DYRK1ANOS3NOS2RAB9AGSK3B
SCHEMBL20449875 0.77 DYRK1A (0.58) DYRK1ANOS3NOS2NOS1
SCHEMBL1104997 0.77 SCN9A (0.48) TNIKSCN9ACTSAPTGDR2
SCHEMBL22009314 0.76 PTPN5 (0.54) CTSAPTGDR2L3MBTL1CASR
SCHEMBL3361169 0.76 DYRK1A (0.60) DYRK1ANOS3NOS2ALOX5APFEN1
SCHEMBL3641254 0.74 PTGDR2 (0.60) CTSAPTGDR2CASR
SCHEMBL23927489 0.74 DYRK1A (0.48) DYRK1ANOS3NOS2GSK3BNOS1

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.