SCHEMBL3392218

SCHEMBL3392218

FC(F)(F)Oc1ccc(C2=CCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.63
PRKD3 O94806 1/20 0.63
MARK3 P27448 1/20 0.63
PRKCI P41743 1/20 0.63
PRKCD Q05655 1/20 0.63
CAMK2B Q13554 1/20 0.63
CAMK2G Q13555 1/20 0.63
CAMK2D Q13557 1/20 0.63
BRSK1 Q8TDC3 1/20 0.63
PIM2 Q9P1W9 1/20 0.63
MAP4K5 Q9Y4K4 1/20 0.63
HTR2C P28335 9/20 0.54
QDPR P09417 3/20 0.54
SIGMAR1 Q99720 2/20 0.54
NISCH Q9Y2I1 1/20 0.46
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
SCN9A Q15858 1/20 0.41

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
Hydrochloric Acid SCHEMBL5541194 0.98 JAK2 (0.65) JAK2PRKD3MARK3PRKCIPRKCD
SCHEMBL2299855 0.88 JAK2 (0.56) JAK2PRKD3MARK3PRKCIPRKCD
SCHEMBL19514110 0.84 JAK2 (0.50) JAK2PRKD3MARK3PRKCIPRKCD
SCHEMBL25864472 0.83 HTR2C (0.63) JAK2PRKD3MARK3PRKCIPRKCD
SCHEMBL10104548 0.79 JAK2 (0.47) JAK2PRKD3MARK3PRKCIPRKCD
SCHEMBL894220 0.77 QDPR (0.60) HTR2CQDPRSIGMAR1
SCHEMBL14894193 0.77 NISCH (0.50) JAK2PRKD3MARK3PRKCIPRKCD
SCHEMBL1472528 0.77 HTR2C (0.69) HTR2CQDPRSIGMAR1NISCH
SCHEMBL3043133 0.77 SCN9A (0.61) HTR2CQDPRSIGMAR1HTR2ASCN9A
SCHEMBL4699022 0.76 JAK2 (0.50) JAK2PRKD3MARK3PRKCIPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103450220-B Nitroimidazole compound and application thereof in pharmacy 上海阳帆医药科技有限公司 2017-02-08 CN disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
CN-103450220-A Novel nitroimidazole compound and application thereof in pharmacy SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2013-12-18 CN disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 JAK2 4213/4885PRKD3 1783/4885MARK3 1779/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I JAK2 3387/4885PRKD3 4280/4885MARK3 2841/4885

“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.